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

Systemtic Name: N-ethyl-3-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrrolidine-1-carbothioamide Openeye Name: N-ethyl-3-(3-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbothioamide CAS Name: N-ethyl-3-(3-methoxyphenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-ethyl-3-(3-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: N-ethyl-3-(3-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbothioamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H30N4O2S/c1-4-21-20(27)24-13-17(15-6-5-7-16(12-15)26-3)18(14-24)19(25)23-10-8-22(2)9-11-23/h5-7,12,17-18H,4,8-11,13-14H2,1-3H3,(H,21,27)