N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-(3-fluoro-4-methoxy-phenyl)propanamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-(3-fluoro-4-methoxyphenyl)propanamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3-fluoro-4-methoxyphenyl)propanamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-(3-fluoro-4-methoxy-phenyl)propionamide Formula: C16H18FN3O3S2 MolecularWeight: 383.460823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC2=CC(=C(C=C2)OC)F)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC2=CC(=C(C=C2)OC)F)SCC(=O)N

InChI

InChI=1S/C16H18FN3O3S2/c1-9-15(24-8-13(18)21)25-16(19-9)20-14(22)6-4-10-3-5-12(23-2)11(17)7-10/h3,5,7H,4,6,8H2,1-2H3,(H2,18,21)(H,19,20,22)