N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylthio)propanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylthio)propionamide Formula: C17H16N2OS2 MolecularWeight: 328.45174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C17H16N2OS2/c1-12-18-15-8-7-13(11-16(15)22-12)19-17(20)9-10-21-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)