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

Systemtic Name: N-(2-methylphenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(o-tolyl)acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O2S/c1-3-12-26-21(28)20-19(15-9-5-7-11-17(15)24-20)25-22(26)29-13-18(27)23-16-10-6-4-8-14(16)2/h3-11,24H,1,12-13H2,2H3,(H,23,27)