1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C16H12ClFN4OS3 MolecularWeight: 426.939083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H12ClFN4OS3/c17-10-7-9(5-6-11(10)18)19-15(24)22-21-14(23)8-25-16-20-12-3-1-2-4-13(12)26-16/h1-7H,8H2,(H,21,23)(H2,19,22,24)