N-(2,3-dimethylphenyl)-4-[2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-[2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-[2-[(2,3-dimethylphenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C24H33N5S2 MolecularWeight: 455.68232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C)C

InChI

InChI=1S/C24H33N5S2/c1-17-7-5-9-21(19(17)3)26-23(30)25-11-12-28-13-15-29(16-14-28)24(31)27-22-10-6-8-18(2)20(22)4/h5-10H,11-16H2,1-4H3,(H,27,31)(H2,25,26,30)