[3-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl] carbamate

Systemtic Name: [3-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl] carbamate Openeye Name: [3-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl] carbamate CAS Name: carbamic acid [3-[2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]ethyl]phenyl] ester IUPAC Name: [3-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl] carbamate Traditional Name: carbamic acid [3-[2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)ethyl]phenyl] ester Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NCCC2=CC(=CC=C2)OC(=O)N

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NCCC2=CC(=CC=C2)OC(=O)N

InChI

InChI=1S/C16H19N3O2S/c17-15(20)21-14-8-4-5-12(11-14)9-10-18-16(22)19-13-6-2-1-3-7-13/h2,4-8,11H,1,3,9-10H2,(H2,17,20)(H2,18,19,22)