N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)carbonylamino]benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-[(4-fluorobenzoyl)amino]benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[(4-fluorobenzoyl)amino]benzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-[(4-fluorobenzoyl)amino]benzamide Formula: C20H17FN4O3S2 MolecularWeight: 444.502383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)SCC(=O)N

InChI

InChI=1S/C20H17FN4O3S2/c1-11-19(29-10-16(22)26)30-20(23-11)25-18(28)13-3-2-4-15(9-13)24-17(27)12-5-7-14(21)8-6-12/h2-9H,10H2,1H3,(H2,22,26)(H,24,27)(H,23,25,28)