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

Systemtic Name: N-(4-acetamidophenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C23H21N5O3S/c1-3-12-28-22(31)21-20(17-6-4-5-7-18(17)26-21)27-23(28)32-13-19(30)25-16-10-8-15(9-11-16)24-14(2)29/h3-11,26H,1,12-13H2,2H3,(H,24,29)(H,25,30)