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

Systemtic Name: N-(4-ethylphenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2S/c1-3-13-8-10-14(11-9-13)22-17(26)12-28-21-24-18-15-6-4-5-7-16(15)23-19(18)20(27)25(21)2/h4-11,23H,3,12H2,1-2H3,(H,22,26)