2-[2-[(4-bromophenyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(4-bromophenyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromoanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromoanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromoanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CNC3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CNC3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C17H18BrN3O2S/c18-10-5-7-11(8-6-10)20-9-14(22)21-17-15(16(19)23)12-3-1-2-4-13(12)24-17/h5-8,20H,1-4,9H2,(H2,19,23)(H,21,22)