3-methyl-N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-methyl-N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-acetonylsulfanyl-1,3-benzothiazol-6-yl)-3-methyl-benzamide CAS Name: 3-methyl-N-[2-(2-oxopropylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(acetonylthio)-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C

InChI

InChI=1S/C18H16N2O2S2/c1-11-4-3-5-13(8-11)17(22)19-14-6-7-15-16(9-14)24-18(20-15)23-10-12(2)21/h3-9H,10H2,1-2H3,(H,19,22)