6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)hexanamide

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Traditional Name: N-benzyl-6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)hexanamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-31-17-11-12-19-18(14-17)21-22(26-19)23(30)28(24(32)27-21)13-7-3-6-10-20(29)25-15-16-8-4-2-5-9-16/h2,4-5,8-9,11-12,14,26H,3,6-7,10,13,15H2,1H3,(H,25,29)(H,27,32)