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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NN(C)C(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NN(C)C(=S)NCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21ClN4S2/c1-12-9-13(2)16(15(19)10-12)21-17(24)22-23(3)18(25)20-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,25)(H2,21,22,24)