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

Systemtic Name: 1-[(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-4-carboxamide Openeye Name: 1-(3-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(3-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

InChI

InChI=1S/C21H26N4O3S/c22-18(26)13-8-10-24(11-9-13)19(27)14-6-7-16-17(12-14)23-21(29)25(20(16)28)15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H2,22,26)(H,23,29)