N-[2-(3,4-dimethoxyphenyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-homoveratryl-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3)OC

InChI

InChI=1S/C25H22N4O3S/c1-31-21-10-7-15(13-22(21)32-2)11-12-26-24(30)16-8-9-17-19(14-16)28-25(33)29-20-6-4-3-5-18(20)27-23(17)29/h3-10,13-14H,11-12H2,1-2H3,(H,26,30)(H,28,33)