1-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]acetyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-[[2-[(2-chloro-4-fluorophenyl)methylthio]-1-oxoethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[[2-[(2-chloro-4-fluoro-benzyl)thio]acetyl]amino]-3-(p-tolyl)thiourea Formula: C17H17ClFN3OS2 MolecularWeight: 397.917783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C17H17ClFN3OS2/c1-11-2-6-14(7-3-11)20-17(24)22-21-16(23)10-25-9-12-4-5-13(19)8-15(12)18/h2-8H,9-10H2,1H3,(H,21,23)(H2,20,22,24)