2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-acetamide CAS Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methylacetamide Traditional Name: N-benzyl-2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-methyl-acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C21H20N4O3S/c1-24(11-13-6-4-3-5-7-13)17(26)12-25-20(27)19-18(23-21(25)29)15-10-14(28-2)8-9-16(15)22-19/h3-10,22H,11-12H2,1-2H3,(H,23,29)