2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN2O2S/c24-16-11-13-17(14-12-16)25-22(28)20-18-9-5-2-6-10-19(18)29-23(20)26-21(27)15-7-3-1-4-8-15/h1,3-4,7-8,11-14H,2,5-6,9-10H2,(H,25,28)(H,26,27)