N-[4-[[methyl-(4-oxidanylcyclohexyl)amino]methyl]phenyl]-6-(4-methylphenyl)-2H-thiochromene-3-carboxamide

Systemtic Name: N-[4-[[methyl-(4-oxidanylcyclohexyl)amino]methyl]phenyl]-6-(4-methylphenyl)-2H-thiochromene-3-carboxamide Openeye Name: N-[4-[[(4-hydroxycyclohexyl)-methyl-amino]methyl]phenyl]-6-(p-tolyl)-2H-thiochromene-3-carboxamide CAS Name: N-[4-[[(4-hydroxycyclohexyl)-methylamino]methyl]phenyl]-6-(4-methylphenyl)-2H-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[[(4-hydroxycyclohexyl)-methylamino]methyl]phenyl]-6-(4-methylphenyl)-2H-thiochromene-3-carboxamide Traditional Name: N-[4-[[(4-hydroxycyclohexyl)-methyl-amino]methyl]phenyl]-6-(p-tolyl)-2H-thiochromene-3-carboxamide Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCC(CC5)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCC(CC5)O

InChI

InChI=1S/C31H34N2O2S/c1-21-3-7-23(8-4-21)24-9-16-30-25(17-24)18-26(20-36-30)31(35)32-27-10-5-22(6-11-27)19-33(2)28-12-14-29(34)15-13-28/h3-11,16-18,28-29,34H,12-15,19-20H2,1-2H3,(H,32,35)