N-(2-methylphenyl)-4-[2-[(2-methylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-[2-[(2-methylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(o-tolyl)-4-[2-(o-tolylcarbamothioylamino)ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(2-methylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-[2-[(2-methylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(o-tolyl)-4-[2-(o-tolylthiocarbamoylamino)ethyl]piperazine-1-carbothioamide Formula: C22H29N5S2 MolecularWeight: 427.62916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C22H29N5S2/c1-17-7-3-5-9-19(17)24-21(28)23-11-12-26-13-15-27(16-14-26)22(29)25-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3,(H,25,29)(H2,23,24,28)