N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2OS2/c1-12-10-13(2)17-15(11-12)23-18(20-17)19-16(21)8-9-22-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21)