[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-propyl-carbamothioic S-acid

Systemtic Name: [5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-propyl-carbamothioic S-acid Openeye Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-propyl-carbamothioic S-acid CAS Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]-propylcarbamothioic S-acid IUPAC Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]-propylcarbamothioic S-acid Traditional Name: [5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl]-propyl-thiocarbamic S-acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)S

Isomeric SMILES

CCCN(C1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C21H24N2O3S/c1-2-12-23(21(25)27)17-13-20(24)22(15-17)14-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-11,17H,2,12-15H2,1H3,(H,25,27)