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

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]-N-(tetrahydrofurfuryl)benzamide Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5CCCO5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5CCCO5

InChI

InChI=1S/C24H24N4O4S/c1-31-16-8-9-19-18(11-16)20-21(26-19)23(30)28(24(33)27-20)13-14-4-6-15(7-5-14)22(29)25-12-17-3-2-10-32-17/h4-9,11,17,26H,2-3,10,12-13H2,1H3,(H,25,29)(H,27,33)