2-[(3-chlorophenyl)carbamoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)carbamoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-chlorophenyl)carbamoylamino]-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-chloroanilino)-oxomethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-chlorophenyl)carbamoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-4-21(2,3)12-8-9-15-16(10-12)28-19(17(15)18(23)26)25-20(27)24-14-7-5-6-13(22)11-14/h5-7,11-12H,4,8-10H2,1-3H3,(H2,23,26)(H2,24,25,27)