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

Systemtic Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide CAS Name: N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS2/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/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,22,24)