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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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