3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-4-phenyl-N-propan-2-yl-pyrrolidine-1-carbothioamide

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-4-phenyl-N-propan-2-yl-pyrrolidine-1-carbothioamide Openeye Name: N-isopropyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-4-phenyl-pyrrolidine-1-carbothioamide CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-N-propan-2-yl-1-pyrrolidinecarbothioamide IUPAC Name: 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4-phenyl-N-propan-2-ylpyrrolidine-1-carbothioamide Traditional Name: N-isopropyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-4-phenyl-pyrrolidine-1-carbothioamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(CC3C4=CC=CC=C4)C(=S)NC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(CC3C4=CC=CC=C4)C(=S)NC(C)C

InChI

InChI=1S/C26H34N4OS/c1-19(2)27-26(32)30-17-22(21-10-5-4-6-11-21)23(18-30)25(31)29-15-13-28(14-16-29)24-12-8-7-9-20(24)3/h4-12,19,22-23H,13-18H2,1-3H3,(H,27,32)