1-(2,6-dimethylphenyl)-3-[(phenylmethyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2,6-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-benzyl-3-[(2,6-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C17H20N4S2 MolecularWeight: 344.4975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4S2/c1-12-7-6-8-13(2)15(12)19-17(23)21-20-16(22)18-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H2,18,20,22)(H2,19,21,23)