N-cyclopentyl-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-cyclopentyl-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-cyclopentyl-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-cyclopentyl-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-cyclopentyl-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-cyclopentyl-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCC(C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H27N3O2S/c25-19(22-16-5-1-2-6-16)15-11-9-14(10-12-15)13-24-20(26)17-7-3-4-8-18(17)23-21(24)27/h3-4,7-8,14-16H,1-2,5-6,9-13H2,(H,22,25)(H,23,27)