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

Systemtic Name: N-[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)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[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)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3S/c29-23(20-10-6-16-31-20)26-24-22(19-9-4-5-11-21(19)32-24)25(30)28-14-12-27(13-15-28)17-18-7-2-1-3-8-18/h1-3,6-8,10,16H,4-5,9,11-15,17H2,(H,26,29)