methyl 4-[(6-fluoranyl-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(6-fluoranyl-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H14FN3O3S2 MolecularWeight: 403.450463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)SC1=NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)SC1=NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H14FN3O3S2/c1-22-13-8-7-12(19)9-14(13)27-18(22)21-17(26)20-15(23)10-3-5-11(6-4-10)16(24)25-2/h3-9H,1-2H3,(H,20,23,26)