N-(4-methylphenyl)-4-[[(4-methylphenyl)carbamothioylamino]methyl]piperidine-1-carbothioamide

Systemtic Name: N-(4-methylphenyl)-4-[[(4-methylphenyl)carbamothioylamino]methyl]piperidine-1-carbothioamide Openeye Name: N-(p-tolyl)-4-[(p-tolylcarbamothioylamino)methyl]piperidine-1-carbothioamide CAS Name: 4-[[[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]-N-(4-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: N-(4-methylphenyl)-4-[[(4-methylphenyl)carbamothioylamino]methyl]piperidine-1-carbothioamide Traditional Name: N-(p-tolyl)-4-[(p-tolylthiocarbamoylamino)methyl]piperidine-1-carbothioamide Formula: C22H28N4S2 MolecularWeight: 412.61452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCC2CCN(CC2)C(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCC2CCN(CC2)C(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4S2/c1-16-3-7-19(8-4-16)24-21(27)23-15-18-11-13-26(14-12-18)22(28)25-20-9-5-17(2)6-10-20/h3-10,18H,11-15H2,1-2H3,(H,25,28)(H2,23,24,27)