1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-1-methyl-thiourea CAS Name: 1-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-1-methyl-thiourea Formula: C16H16ClFN4S2 MolecularWeight: 382.906443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H16ClFN4S2/c1-22(16(24)19-10-11-5-3-2-4-6-11)21-15(23)20-12-7-8-14(18)13(17)9-12/h2-9H,10H2,1H3,(H,19,24)(H2,20,21,23)