[3-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-dien-1-yl] carbamate

Systemtic Name: [3-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-dien-1-yl] carbamate Openeye Name: [3-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]cyclohexa-1,3-dien-1-yl] carbamate CAS Name: carbamic acid [3-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [3-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]cyclohexa-1,3-dien-1-yl] carbamate Traditional Name: carbamic acid [3-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]cyclohexa-1,3-dien-1-yl] ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O4S/c1-22-13-8-14(23-2)12(7-11(13)17)20-16(25)19-9-4-3-5-10(6-9)24-15(18)21/h4,6-8H,3,5H2,1-2H3,(H2,18,21)(H2,19,20,25)