N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(4-chlorobenzyl)-2-(4-keto-2,7-dimethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)C)CC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)C)CC(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-12-3-8-16-17(9-12)28-20-19(16)21(27)25(13(2)24-20)11-18(26)23-10-14-4-6-15(22)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,23,26)