1-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-N-phenyl-nipecotamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-2-3-16-30-25(33)21-13-7-8-14-22(21)28-26(30)34-18-23(31)29-15-9-10-19(17-29)24(32)27-20-11-5-4-6-12-20/h4-8,11-14,19H,2-3,9-10,15-18H2,1H3,(H,27,32)