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

Systemtic Name: N-(3-chlorophenyl)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-chlorophenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(3-chlorophenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-chlorophenyl)-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-2-25-19(27)18-17(14-8-3-4-9-15(14)23-18)24-20(25)28-11-16(26)22-13-7-5-6-12(21)10-13/h3-10,23H,2,11H2,1H3,(H,22,26)