N-(2,5-dimethylphenyl)-4-[2-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[2-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[2-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[2-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-[2-[(2,5-dimethylphenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C24H33N5S2 MolecularWeight: 455.68232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCCN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NCCN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

InChI

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