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

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c27-21(24-14-16-6-2-1-3-7-16)18-12-10-17(11-13-18)15-26-22(28)19-8-4-5-9-20(19)25-23(26)29/h1-9,17-18H,10-15H2,(H,24,27)(H,25,29)