methyl 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate CAS Name: 2-[[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioylamino]-3-phenylpropanoate Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C18H16FN3O2S2 MolecularWeight: 389.466943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2S2/c1-24-16(23)14(9-11-5-3-2-4-6-11)20-17(25)22-18-21-13-8-7-12(19)10-15(13)26-18/h2-8,10,14H,9H2,1H3,(H2,20,21,22,25)