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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2S/c1-4-11-27-22(29)21-20(16-7-5-6-8-18(16)25-21)26-23(27)30-13-19(28)24-17-10-9-14(2)12-15(17)3/h4-10,12,25H,1,11,13H2,2-3H3,(H,24,28)