N-[(4-chlorophenyl)methyl]-4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-[(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarboxamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S2/c22-16-7-3-13(4-8-16)11-23-19(26)15-5-1-14(2-6-15)12-25-20(27)18-17(9-10-29-18)24-21(25)28/h3-4,7-10,14-15H,1-2,5-6,11-12H2,(H,23,26)(H,24,28)