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

Systemtic Name: 2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-4-methoxy-cyclohexa-1,3-diene-1-carboxamide Openeye Name: 2-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-4-methoxy-cyclohexa-1,3-diene-1-carboxamide CAS Name: 2-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-4-methoxy-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 2-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-4-methoxycyclohexa-1,3-diene-1-carboxamide Traditional Name: 2-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-4-methoxy-cyclohexa-1,3-diene-1-carboxamide Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(CC1)C(=O)N)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(CC1)C(=O)N)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C17H20ClN3O4S/c1-23-9-4-5-10(16(19)22)12(6-9)20-17(26)21-13-7-11(18)14(24-2)8-15(13)25-3/h6-8H,4-5H2,1-3H3,(H2,19,22)(H2,20,21,26)