N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylpiperazin-1-yl)carbonyl-benzamide

Systemtic Name: N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylpiperazine-1-carbonyl)benzamide CAS Name: N-[2-(ethylthio)-1,3-benzothiazol-6-yl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylpiperazine-1-carbonyl)benzamide Traditional Name: N-[2-(ethylthio)-1,3-benzothiazol-6-yl]-2-(4-phenylpiperazine-1-carbonyl)benzamide Formula: C27H26N4O2S2 MolecularWeight: 502.65094

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S2/c1-2-34-27-29-23-13-12-19(18-24(23)35-27)28-25(32)21-10-6-7-11-22(21)26(33)31-16-14-30(15-17-31)20-8-4-3-5-9-20/h3-13,18H,2,14-17H2,1H3,(H,28,32)