3-chloranyl-N-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C21H21ClN2O2S/c1-13-8-9-15(14(2)10-13)12-24(3)18(25)11-23-21(26)20-19(22)16-6-4-5-7-17(16)27-20/h4-10H,11-12H2,1-3H3,(H,23,26)