N-(3-methylphenyl)-4-[[(3-methylphenyl)carbamothioylamino]methyl]piperidine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-[[(3-methylphenyl)carbamothioylamino]methyl]piperidine-1-carbothioamide Openeye Name: N-(m-tolyl)-4-[(m-tolylcarbamothioylamino)methyl]piperidine-1-carbothioamide CAS Name: 4-[[[(3-methylanilino)-sulfanylidenemethyl]amino]methyl]-N-(3-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: N-(3-methylphenyl)-4-[[(3-methylphenyl)carbamothioylamino]methyl]piperidine-1-carbothioamide Traditional Name: N-(m-tolyl)-4-[(m-tolylthiocarbamoylamino)methyl]piperidine-1-carbothioamide Formula: C22H28N4S2 MolecularWeight: 412.61452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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