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

Systemtic Name: N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CSCCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C23H25N3O4S/c1-29-20-7-3-6-19(15-20)25-8-10-26(11-9-25)23(28)17-4-2-5-18(14-17)24-22(27)21-16-31-13-12-30-21/h2-7,14-16H,8-13H2,1H3,(H,24,27)