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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2,6-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C17H19ClN4S2 MolecularWeight: 378.94256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C17H19ClN4S2/c1-10-7-8-13(9-14(10)18)19-16(23)21-22-17(24)20-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H2,19,21,23)(H2,20,22,24)