[2-bromanyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-methoxy-phenyl] carbamate

Systemtic Name: [2-bromanyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-methoxy-phenyl] carbamate Openeye Name: [2-bromo-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-methoxy-phenyl] carbamate CAS Name: carbamic acid [2-bromo-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-5-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-methoxyphenyl] carbamate Traditional Name: carbamic acid [2-bromo-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-5-methoxy-phenyl] ester Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3S/c1-21-13-8-12(22-14(17)20)10(16)7-11(13)19-15(23)18-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3,(H2,17,20)(H2,18,19,23)