(2S)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-[4-(m-tolyl)piperazino]butyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C25H34N4O2S/c1-20-7-4-8-21(19-20)28-16-14-27(15-17-28)12-3-2-11-26-24(30)22-9-5-13-29(22)25(31)23-10-6-18-32-23/h4,6-8,10,18-19,22H,2-3,5,9,11-17H2,1H3,(H,26,30)/t22-/m0/s1