1-(2,5-dimethylphenyl)-3-[(4-ethylphenyl)carbamothioylamino]thiourea hydrochloride

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(4-ethylphenyl)carbamothioylamino]thiourea hydrochloride Openeye Name: 1-(2,5-dimethylphenyl)-3-[(4-ethylphenyl)carbamothioylamino]thiourea hydrochloride CAS Name: 1-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-(4-ethylphenyl)thiourea hydrochloride IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(4-ethylphenyl)carbamothioylamino]thiourea hydrochloride Traditional Name: 1-(2,5-dimethylphenyl)-3-[(4-ethylphenyl)thiocarbamoylamino]thiourea hydrochloride Formula: C18H23ClN4S2 MolecularWeight: 394.98502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=C(C=CC(=C2)C)C.Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=C(C=CC(=C2)C)C.Cl

InChI

InChI=1S/C18H22N4S2.ClH/c1-4-14-7-9-15(10-8-14)19-17(23)21-22-18(24)20-16-11-12(2)5-6-13(16)3;/h5-11H,4H2,1-3H3,(H2,19,21,23)(H2,20,22,24);1H