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

Systemtic Name: N-[(4-methylphenyl)methyl]-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-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-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-(4-methylbenzyl)acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O2S/c1-3-12-27-22(29)21-20(17-6-4-5-7-18(17)25-21)26-23(27)30-14-19(28)24-13-16-10-8-15(2)9-11-16/h3-11,25H,1,12-14H2,2H3,(H,24,28)