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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenacylsulfanyl-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenacylsulfanyl-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(phenacylthio)-3-benzimidazolo[1,2-c]quinazolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenacylsulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-homoveratryl-6-(phenacylthio)benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C33H28N4O4S MolecularWeight: 576.66482

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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(=N3)SCC(=O)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC(=O)C6=CC=CC=C6)OC

InChI

InChI=1S/C33H28N4O4S/c1-40-29-15-12-21(18-30(29)41-2)16-17-34-32(39)23-13-14-24-26(19-23)36-33(42-20-28(38)22-8-4-3-5-9-22)37-27-11-7-6-10-25(27)35-31(24)37/h3-15,18-19H,16-17,20H2,1-2H3,(H,34,39)