ethyl 1-[(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carbonyl)nipecotic acid ethyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

InChI

InChI=1S/C23H22N4O3S/c1-2-30-22(29)15-6-5-11-26(13-15)21(28)14-9-10-16-18(12-14)25-23(31)27-19-8-4-3-7-17(19)24-20(16)27/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,25,31)