2-(6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)-N-[7-[2-(6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)ethanoylamino]-10H-phenothiazin-3-yl]ethanamide

Systemtic Name: 2-(6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)-N-[7-[2-(6-azanyl-5-cyano-4-phenyl-pyridin-2-yl)ethanoylamino]-10H-phenothiazin-3-yl]ethanamide Openeye Name: 2-(6-amino-5-cyano-4-phenyl-2-pyridyl)-N-[7-[[2-(6-amino-5-cyano-4-phenyl-2-pyridyl)acetyl]amino]-10H-phenothiazin-3-yl]acetamide CAS Name: 2-(6-amino-5-cyano-4-phenyl-2-pyridinyl)-N-[7-[[2-(6-amino-5-cyano-4-phenyl-2-pyridinyl)-1-oxoethyl]amino]-10H-phenothiazin-3-yl]acetamide IUPAC Name: 2-(6-amino-5-cyano-4-phenylpyridin-2-yl)-N-[7-[[2-(6-amino-5-cyano-4-phenylpyridin-2-yl)acetyl]amino]-10H-phenothiazin-3-yl]acetamide Traditional Name: 2-(6-amino-5-cyano-4-phenyl-2-pyridyl)-N-[7-[[2-(6-amino-5-cyano-4-phenyl-2-pyridyl)acetyl]amino]-10H-phenothiazin-3-yl]acetamide Formula: C40H29N9O2S MolecularWeight: 699.78236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)CC(=O)NC3=CC4=C(C=C3)NC5=C(S4)C=C(C=C5)NC(=O)CC6=NC(=C(C(=C6)C7=CC=CC=C7)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)CC(=O)NC3=CC4=C(C=C3)NC5=C(S4)C=C(C=C5)NC(=O)CC6=NC(=C(C(=C6)C7=CC=CC=C7)C#N)N

InChI

InChI=1S/C40H29N9O2S/c41-21-31-29(23-7-3-1-4-8-23)15-27(47-39(31)43)19-37(50)45-25-11-13-33-35(17-25)52-36-18-26(12-14-34(36)49-33)46-38(51)20-28-16-30(24-9-5-2-6-10-24)32(22-42)40(44)48-28/h1-18,49H,19-20H2,(H2,43,47)(H2,44,48)(H,45,50)(H,46,51)