3-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 3-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide Openeye Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide CAS Name: 3-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 3-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide Traditional Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]cyclohexa-1,3-diene-1-carboxamide Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CCCC(=C2)C(=O)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CCCC(=C2)C(=O)N)Cl)OC

InChI

InChI=1S/C16H18ClN3O3S/c1-22-13-8-14(23-2)12(7-11(13)17)20-16(24)19-10-5-3-4-9(6-10)15(18)21/h5-8H,3-4H2,1-2H3,(H2,18,21)(H2,19,20,24)