N-(2,6-diethylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-3-(p-tolyl)pyrrolidine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-3-(4-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-3-(p-tolyl)pyrrolidine-1-carbothioamide Formula: C22H28N2S MolecularWeight: 352.53612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2S/c1-4-17-7-6-8-18(5-2)21(17)23-22(25)24-14-13-20(15-24)19-11-9-16(3)10-12-19/h6-12,20H,4-5,13-15H2,1-3H3,(H,23,25)