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

Systemtic Name: 4-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]-4-bromo-benzamide CAS Name: 4-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]-4-bromobenzamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-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=C(C=C5)Br

Isomeric SMILES

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

InChI

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