1-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[2-(4-chlorophenyl)ethyl]-3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C18H21ClN4S2 MolecularWeight: 392.96914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4S2/c1-12-3-8-16(11-13(12)2)21-18(25)23-22-17(24)20-10-9-14-4-6-15(19)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,20,22,24)(H2,21,23,25)