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

Systemtic Name: [4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-2-methoxy-phenyl] carbamate Openeye Name: [4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-2-methoxy-phenyl] carbamate CAS Name: carbamic acid [4-[2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]ethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-2-methoxyphenyl] carbamate Traditional Name: carbamic acid [4-[2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)ethyl]-2-methoxy-phenyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC(=S)NC2=CCCC=C2)OC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC(=S)NC2=CCCC=C2)OC(=O)N

InChI

InChI=1S/C17H21N3O3S/c1-22-15-11-12(7-8-14(15)23-16(18)21)9-10-19-17(24)20-13-5-3-2-4-6-13/h3,5-8,11H,2,4,9-10H2,1H3,(H2,18,21)(H2,19,20,24)