2-(2-azanylcyclohexyl)imino-3-(4-chlorophenyl)-3-oxidanylidene-N-phenyl-propanethioamide

Systemtic Name: 2-(2-azanylcyclohexyl)imino-3-(4-chlorophenyl)-3-oxidanylidene-N-phenyl-propanethioamide Openeye Name: 2-(2-aminocyclohexyl)imino-3-(4-chlorophenyl)-3-oxo-N-phenyl-propanethioamide CAS Name: 2-(2-aminocyclohexyl)imino-3-(4-chlorophenyl)-3-oxo-N-phenylpropanethioamide IUPAC Name: 2-(2-aminocyclohexyl)imino-3-(4-chlorophenyl)-3-oxo-N-phenylpropanethioamide Traditional Name: 2-(2-aminocyclohexyl)imino-3-(4-chlorophenyl)-3-keto-N-phenyl-thiopropionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N=C(C(=O)C2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CCC(C(C1)N)N=C(C(=O)C2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3OS/c22-15-12-10-14(11-13-15)20(26)19(25-18-9-5-4-8-17(18)23)21(27)24-16-6-2-1-3-7-16/h1-3,6-7,10-13,17-18H,4-5,8-9,23H2,(H,24,27)