N-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[oxo-[3-(1-pyrrolidinyl)butylamino]methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-(3-pyrrolidinobutylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CSCCO2)N3CCCC3

Isomeric SMILES

CC(CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CSCCO2)N3CCCC3

InChI

InChI=1S/C20H27N3O3S/c1-15(23-10-2-3-11-23)8-9-21-19(24)16-4-6-17(7-5-16)22-20(25)18-14-27-13-12-26-18/h4-7,14-15H,2-3,8-13H2,1H3,(H,21,24)(H,22,25)