1-isoquinolin-4-ylcyclohexane-1-carbothioamide

Systemtic Name: 1-isoquinolin-4-ylcyclohexane-1-carbothioamide Openeye Name: 1-(4-isoquinolyl)cyclohexanecarbothioamide CAS Name: 1-(4-isoquinolinyl)-1-cyclohexanecarbothioamide IUPAC Name: 1-isoquinolin-4-ylcyclohexane-1-carbothioamide Traditional Name: 1-(4-isoquinolyl)cyclohexanecarbothioamide Formula: C16H18N2S MolecularWeight: 270.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CN=CC3=CC=CC=C32)C(=S)N

Isomeric SMILES

C1CCC(CC1)(C2=CN=CC3=CC=CC=C32)C(=S)N

InChI

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