1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2,3-dimethylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2,3-dimethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2,3-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2,3-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2,3-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C18H21ClN4S2 MolecularWeight: 392.96914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=S)NC2=C(C=C(C=C2Cl)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=S)NC2=C(C=C(C=C2Cl)C)C)C

InChI

InChI=1S/C18H21ClN4S2/c1-10-8-12(3)16(14(19)9-10)21-18(25)23-22-17(24)20-15-7-5-6-11(2)13(15)4/h5-9H,1-4H3,(H2,20,22,24)(H2,21,23,25)