1-(2,3-dimethylphenyl)-3-(phenethylcarbamothioylamino)thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-(phenethylcarbamothioylamino)thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-(phenethylcarbamothioylamino)thiourea CAS Name: 1-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-3-phenethylthiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-(phenethylcarbamothioylamino)thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-(phenethylthiocarbamoylamino)thiourea Formula: C18H22N4S2 MolecularWeight: 358.52408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=S)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=S)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N4S2/c1-13-7-6-10-16(14(13)2)20-18(24)22-21-17(23)19-12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H2,19,21,23)(H2,20,22,24)