S-[[5-oxidanylidene-1-[(4-phenoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]methyl] carbamothioate

Systemtic Name: S-[[5-oxidanylidene-1-[(4-phenoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]methyl] carbamothioate Openeye Name: S-[[5-oxo-1-[(4-phenoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[5-oxo-1-[(4-phenoxy-1-cyclohexa-1,5-dienyl)methyl]-2-pyrrolidinyl]methyl] ester IUPAC Name: S-[[5-oxo-1-[(4-phenoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[5-keto-1-[(4-phenoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]methyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CSC(=O)N)CC2=CCC(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1CSC(=O)N)CC2=CCC(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c20-19(23)25-13-15-8-11-18(22)21(15)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-7,9,15,17H,8,10-13H2,(H2,20,23)