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

Systemtic Name: [2-chloranyl-5-methoxy-4-[[5-(phenylcarbonyl)cyclohexa-1,5-dien-1-yl]carbamothioylamino]phenyl] carbamate Openeye Name: [4-[(5-benzoylcyclohexa-1,5-dien-1-yl)carbamothioylamino]-2-chloro-5-methoxy-phenyl] carbamate CAS Name: carbamic acid [4-[[[(5-benzoyl-1-cyclohexa-1,5-dienyl)amino]-sulfanylidenemethyl]amino]-2-chloro-5-methoxyphenyl] ester IUPAC Name: [4-[(5-benzoylcyclohexa-1,5-dien-1-yl)carbamothioylamino]-2-chloro-5-methoxyphenyl] carbamate Traditional Name: carbamic acid [4-[(5-benzoylcyclohexa-1,5-dien-1-yl)thiocarbamoylamino]-2-chloro-5-methoxy-phenyl] ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CCCC(=C2)C(=O)C3=CC=CC=C3)Cl)OC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CCCC(=C2)C(=O)C3=CC=CC=C3)Cl)OC(=O)N

InChI

InChI=1S/C22H20ClN3O4S/c1-29-19-12-18(30-21(24)28)16(23)11-17(19)26-22(31)25-15-9-5-8-14(10-15)20(27)13-6-3-2-4-7-13/h2-4,6-7,9-12H,5,8H2,1H3,(H2,24,28)(H2,25,26,31)