2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-6-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)amino]-6-tert-butyl-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-21(2,3)13-7-10-15-16(11-13)27-20(17(15)19(26)23-4)24-18(25)12-5-8-14(22)9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,23,26)(H,24,25)