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

Systemtic Name: 1-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

InChI

InChI=1S/C23H28N4O3S/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/h4,6-7,14,16H,1-3,5,8-13H2,(H2,24,28)(H,25,31)