1-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)-N-benzyl-piperidine-4-carboxamide CAS Name: 1-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)-N-benzyl-isonipecotamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C25H26N4O3S/c1-2-12-29-24(32)20-9-8-19(15-21(20)27-25(29)33)23(31)28-13-10-18(11-14-28)22(30)26-16-17-6-4-3-5-7-17/h2-9,15,18H,1,10-14,16H2,(H,26,30)(H,27,33)