2-methylsulfanyl-N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Openeye Name: N-[2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-2-methylsulfanyl-benzamide CAS Name: 2-(methylthio)-N-[2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-4-phenyl-5-thiazolyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Traditional Name: N-[2-[[2-(allylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]-2-(methylthio)benzamide Formula: C22H21N3O2S3 MolecularWeight: 455.61604

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=C(N=C(S2)SCC(=O)NCC=C)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=C(N=C(S2)SCC(=O)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S3/c1-3-13-23-18(26)14-29-22-24-19(15-9-5-4-6-10-15)21(30-22)25-20(27)16-11-7-8-12-17(16)28-2/h3-12H,1,13-14H2,2H3,(H,23,26)(H,25,27)