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

Systemtic Name: [2-chloranyl-4-[(2-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-5-methoxy-phenyl] carbamate Openeye Name: [2-chloro-4-[(2-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-5-methoxy-phenyl] carbamate CAS Name: carbamic acid [2-chloro-4-[[[(2-cyano-1-cyclohexa-1,5-dienyl)amino]-sulfanylidenemethyl]amino]-5-methoxyphenyl] ester IUPAC Name: [2-chloro-4-[(2-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-5-methoxyphenyl] carbamate Traditional Name: carbamic acid [2-chloro-4-[(2-cyanocyclohexa-1,5-dien-1-yl)thiocarbamoylamino]-5-methoxy-phenyl] ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3S/c1-23-14-7-13(24-15(19)22)10(17)6-12(14)21-16(25)20-11-5-3-2-4-9(11)8-18/h3,5-7H,2,4H2,1H3,(H2,19,22)(H2,20,21,25)