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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-phenethyl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-phenethyl-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-phenethylbenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-phenethylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-phenethyl-benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C21H21N3O2S2/c1-14-20(27-13-18(22)25)28-21(23-14)24-19(26)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H2,22,25)(H,23,24,26)