2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-15-12-16(24-10-4-5-11-24)8-9-17(15)22-20(25)13-26-14-21-23-18-6-2-3-7-19(18)27-21/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,25)