(3S)-1-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]-N-phenyl-nipecotamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c31-23(29-16-9-10-19(18-29)24(32)27-20-11-3-1-4-12-20)15-5-2-8-17-30-25(33)21-13-6-7-14-22(21)28-26(30)34/h1,3-4,6-7,11-14,19H,2,5,8-10,15-18H2,(H,27,32)(H,28,34)/t19-/m0/s1