3-chloranyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[isopropyl(methyl)carbamoyl]phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[[methyl(propan-2-yl)amino]-oxomethyl]phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[isopropyl(methyl)carbamoyl]benzyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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