3-bromanyl-N-[6-tert-butyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 3-bromanyl-N-[6-tert-butyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-bromo-benzamide CAS Name: 3-bromo-N-[6-tert-butyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromobenzamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-bromo-benzamide Formula: C31H36BrN3O2S MolecularWeight: 594.60544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C31H36BrN3O2S/c1-31(2,3)23-12-13-25-26(19-23)38-29(33-28(36)22-10-7-11-24(32)18-22)27(25)30(37)35-16-14-34(15-17-35)20-21-8-5-4-6-9-21/h4-11,18,23H,12-17,19-20H2,1-3H3,(H,33,36)