N-[2-methyl-5-(4-propylpiperazin-1-yl)carbonyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[2-methyl-5-(4-propylpiperazin-1-yl)carbonyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[2-methyl-5-(4-propylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[2-methyl-5-[oxo-(4-propyl-1-piperazinyl)methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[2-methyl-5-(4-propylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-(4-propylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3

InChI

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