(3S)-1-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]-N-phenyl-nipecotamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-20(12-14-27-22(30)18-10-4-5-11-19(18)25-23(27)31)26-13-6-7-16(15-26)21(29)24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2,(H,24,29)(H,25,31)/t16-/m0/s1