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

Systemtic Name: N-[2-methyl-5-(4-phenylpiperazin-1-yl)carbonyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[2-methyl-5-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CSCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CSCCO4

InChI

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