N-[3-(4-phenylpiperazin-1-yl)carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[3-(4-phenylpiperazin-1-yl)carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CSCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C22H23N3O3S/c26-21(20-16-29-14-13-28-20)23-18-6-4-5-17(15-18)22(27)25-11-9-24(10-12-25)19-7-2-1-3-8-19/h1-8,15-16H,9-14H2,(H,23,26)