1-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-4-carboxamide Openeye Name: 1-(4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-(4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c24-20(28)16-9-11-26(12-10-16)21(29)17-6-7-18-19(14-17)25-23(31)27(22(18)30)13-8-15-4-2-1-3-5-15/h1-7,14,16H,8-13H2,(H2,24,28)(H,25,31)