N-[1-(phenylmethyl)piperidin-4-yl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3)CC6=CC=CC=C6

InChI

InChI=1S/C27H25N5OS/c33-26(28-20-12-14-31(15-13-20)17-18-6-2-1-3-7-18)19-10-11-21-23(16-19)30-27(34)32-24-9-5-4-8-22(24)29-25(21)32/h1-11,16,20H,12-15,17H2,(H,28,33)(H,30,34)