1-quinolin-3-ylcyclohexane-1-carbothioamide hydrate

Systemtic Name: 1-quinolin-3-ylcyclohexane-1-carbothioamide hydrate Openeye Name: 1-(3-quinolyl)cyclohexanecarbothioamide hydrate CAS Name: 1-(3-quinolinyl)-1-cyclohexanecarbothioamide hydrate IUPAC Name: 1-quinolin-3-ylcyclohexane-1-carbothioamide hydrate Traditional Name: 1-(3-quinolyl)cyclohexanecarbothioamide hydrate Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC3=CC=CC=C3N=C2)C(=S)N.O

Isomeric SMILES

C1CCC(CC1)(C2=CC3=CC=CC=C3N=C2)C(=S)N.O

InChI

InChI=1S/C16H18N2S.H2O/c17-15(19)16(8-4-1-5-9-16)13-10-12-6-2-3-7-14(12)18-11-13;/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,17,19);1H2