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

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-fluoro-4-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-benzyl-3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]thiourea Formula: C16H17FN4S2 MolecularWeight: 348.461383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4S2/c1-11-7-8-13(9-14(11)17)19-16(23)21-20-15(22)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,20,22)(H2,19,21,23)