6-[[(4-chlorophenyl)carbamothioylamino]methyl]cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 6-[[(4-chlorophenyl)carbamothioylamino]methyl]cyclohexa-1,5-diene-1-carboxamide Openeye Name: 6-[[(4-chlorophenyl)carbamothioylamino]methyl]cyclohexa-1,5-diene-1-carboxamide CAS Name: 6-[[[(4-chloroanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 6-[[(4-chlorophenyl)carbamothioylamino]methyl]cyclohexa-1,5-diene-1-carboxamide Traditional Name: 6-[[(4-chlorophenyl)thiocarbamoylamino]methyl]cyclohexa-1,5-diene-1-carboxamide Formula: C15H16ClN3OS MolecularWeight: 321.82504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)CNC(=S)NC2=CC=C(C=C2)Cl)C(=O)N

Isomeric SMILES

C1CC=C(C(=C1)CNC(=S)NC2=CC=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C15H16ClN3OS/c16-11-5-7-12(8-6-11)19-15(21)18-9-10-3-1-2-4-13(10)14(17)20/h3-8H,1-2,9H2,(H2,17,20)(H2,18,19,21)