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

Systemtic Name: 4-chloranyl-3-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide Openeye Name: 4-chloro-3-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide CAS Name: 4-chloro-3-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]cyclohexa-1,3-diene-1-carboxamide Traditional Name: 4-chloro-3-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]cyclohexa-1,3-diene-1-carboxamide Formula: C16H17Cl2N3O3S MolecularWeight: 402.29548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N3O3S/c1-23-13-7-14(24-2)12(6-10(13)18)21-16(25)20-11-5-8(15(19)22)3-4-9(11)17/h5-7H,3-4H2,1-2H3,(H2,19,22)(H2,20,21,25)