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

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide CAS Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-prop-2-enylbenzamide IUPAC Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-3-10-23-20(27)14-6-4-13(5-7-14)12-26-21(28)19-18(25-22(26)30)16-11-15(29-2)8-9-17(16)24-19/h3-9,11,24H,1,10,12H2,2H3,(H,23,27)(H,25,30)