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

Systemtic Name: 4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: N-benzyl-4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butyramide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-29-15-9-10-17-16(12-15)19-20(24-17)21(28)26(22(30)25-19)11-5-8-18(27)23-13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,24H,5,8,11,13H2,1H3,(H,23,27)(H,25,30)