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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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