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

Systemtic Name: N-[5-(4-cyclohexylpiperazin-1-yl)carbonyl-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)NC(=O)C4=CSCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C23H31N3O3S/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/h7-8,15-16,19H,2-6,9-14H2,1H3,(H,24,27)