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

Systemtic Name: 2-[[3-(3-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-phenyl-acetamide Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClN4O2S/c25-15-7-6-10-17(13-15)29-23(31)22-21(18-11-4-5-12-19(18)27-22)28-24(29)32-14-20(30)26-16-8-2-1-3-9-16/h1-13,27H,14H2,(H,26,30)