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

Systemtic Name: N-[6-tert-butyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[6-tert-butyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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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=CO5

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C29H35N3O3S/c1-29(2,3)21-11-12-22-24(18-21)36-27(30-26(33)23-10-7-17-35-23)25(22)28(34)32-15-13-31(14-16-32)19-20-8-5-4-6-9-20/h4-10,17,21H,11-16,18-19H2,1-3H3,(H,30,33)