(E)-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-3-phenyl-acrylamide Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS2/c1-15(2)12-13-25-21-23-18-10-9-17(14-19(18)26-21)22-20(24)11-8-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)/b11-8+