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

Systemtic Name: (3S)-1-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)-N-phenyl-nipecotamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C24H24N4O3S/c1-2-12-28-23(31)19-11-10-16(14-20(19)26-24(28)32)22(30)27-13-6-7-17(15-27)21(29)25-18-8-4-3-5-9-18/h2-5,8-11,14,17H,1,6-7,12-13,15H2,(H,25,29)(H,26,32)/t17-/m0/s1