(2Z)-2-[(4-hydroxyphenyl)methoxyimino]-N-methyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide hydrate

Systemtic Name: (2Z)-2-[(4-hydroxyphenyl)methoxyimino]-N-methyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide hydrate Openeye Name: (2Z)-2-[(4-hydroxyphenyl)methoxyimino]-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide hydrate CAS Name: (2Z)-2-[(4-hydroxyphenyl)methoxyimino]-N-methyl-1-(3-quinolinyl)-1-cyclohexanecarbothioamide hydrate IUPAC Name: (2Z)-2-[(4-hydroxyphenyl)methoxyimino]-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide hydrate Traditional Name: (2Z)-2-(4-hydroxybenzyl)oximino-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide hydrate Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=NOCC2=CC=C(C=C2)O)C3=CC4=CC=CC=C4N=C3.O

Isomeric SMILES

CNC(=S)C\1(CCCC/C1=N/OCC2=CC=C(C=C2)O)C3=CC4=CC=CC=C4N=C3.O

InChI

InChI=1S/C24H25N3O2S.H2O/c1-25-23(30)24(19-14-18-6-2-3-7-21(18)26-15-19)13-5-4-8-22(24)27-29-16-17-9-11-20(28)12-10-17;/h2-3,6-7,9-12,14-15,28H,4-5,8,13,16H2,1H3,(H,25,30);1H2/b27-22-;