2-[[3-(3-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[[3-(3-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-(p-tolyl)acetamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

InChI

InChI=1S/C25H19ClN4O2S/c1-15-9-11-17(12-10-15)27-21(31)14-33-25-29-22-19-7-2-3-8-20(19)28-23(22)24(32)30(25)18-6-4-5-16(26)13-18/h2-13,28H,14H2,1H3,(H,27,31)