N-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrrolidine-1-carbothioamide

Systemtic Name: N-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrrolidine-1-carbothioamide Openeye Name: N-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbothioamide CAS Name: N-cyclopropyl-3-(3-methoxyphenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: N-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbothioamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CN(CC2C3=CC(=CC=C3)OC)C(=S)NC4CC4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CN(CC2C3=CC(=CC=C3)OC)C(=S)NC4CC4

InChI

InChI=1S/C21H30N4O2S/c1-23-8-10-24(11-9-23)20(26)19-14-25(21(28)22-16-6-7-16)13-18(19)15-4-3-5-17(12-15)27-2/h3-5,12,16,18-19H,6-11,13-14H2,1-2H3,(H,22,28)