N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)butanoyl]pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)butanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)butanoyl]pyrrolidine-2-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCCC2C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCCC2C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-16-7-4-8-17(15-16)29-14-6-12-21(27)26-13-5-10-19(26)22(28)25-23-24-18-9-2-3-11-20(18)30-23/h2-4,7-9,11,15,19H,5-6,10,12-14H2,1H3,(H,24,25,28)