N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-(2-isobutylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide CAS Name: N-[2-(2-methylpropylthio)-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-(isobutylthio)-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2OS2/c1-14(2)13-24-20-22-17-10-9-16(12-18(17)25-20)21-19(23)11-8-15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,23)