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

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(p-tolyl)acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O2S/c1-12-7-9-13(10-8-12)21-16(25)11-27-20-23-17-14-5-3-4-6-15(14)22-18(17)19(26)24(20)2/h3-10,22H,11H2,1-2H3,(H,21,25)