(6S)-2-[(3-bromophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(3-bromophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(3-bromobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[(3-bromophenyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(3-bromobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(3-bromobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H19BrN2O2S/c1-2-10-6-7-13-14(8-10)24-18(15(13)16(20)22)21-17(23)11-4-3-5-12(19)9-11/h3-5,9-10H,2,6-8H2,1H3,(H2,20,22)(H,21,23)/t10-/m0/s1