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

Systemtic Name: [2-chloranyl-5-methoxy-4-[[5-(phenylcarbamoyl)cyclohexa-1,5-dien-1-yl]carbamothioylamino]phenyl] carbamate Openeye Name: [2-chloro-5-methoxy-4-[[5-(phenylcarbamoyl)cyclohexa-1,5-dien-1-yl]carbamothioylamino]phenyl] carbamate CAS Name: carbamic acid [4-[[[[5-[anilino(oxo)methyl]-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]amino]-2-chloro-5-methoxyphenyl] ester IUPAC Name: [2-chloro-5-methoxy-4-[[5-(phenylcarbamoyl)cyclohexa-1,5-dien-1-yl]carbamothioylamino]phenyl] carbamate Traditional Name: carbamic acid [2-chloro-5-methoxy-4-[[5-(phenylcarbamoyl)cyclohexa-1,5-dien-1-yl]thiocarbamoylamino]phenyl] ester Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CCCC(=C2)C(=O)NC3=CC=CC=C3)Cl)OC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CCCC(=C2)C(=O)NC3=CC=CC=C3)Cl)OC(=O)N

InChI

InChI=1S/C22H21ClN4O4S/c1-30-19-12-18(31-21(24)29)16(23)11-17(19)27-22(32)26-15-9-5-6-13(10-15)20(28)25-14-7-3-2-4-8-14/h2-4,7-12H,5-6H2,1H3,(H2,24,29)(H,25,28)(H2,26,27,32)