4-azanylbutylsulfanyl-(3-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-butan-2-yl)carbamic acid

Systemtic Name: 4-azanylbutylsulfanyl-(3-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-butan-2-yl)carbamic acid Openeye Name: 4-aminobutylsulfanyl-(1-benzyl-2-oxo-1-pyrrolidin-1-yl-propyl)carbamic acid CAS Name: (4-aminobutylthio)-[3-oxo-1-phenyl-2-(1-pyrrolidinyl)butan-2-yl]carbamic acid IUPAC Name: 4-aminobutylsulfanyl-(3-oxo-1-phenyl-2-pyrrolidin-1-ylbutan-2-yl)carbamic acid Traditional Name: (4-aminobutylthio)-(1-benzyl-2-keto-1-pyrrolidino-propyl)carbamic acid Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)(N2CCCC2)N(C(=O)O)SCCCCN

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)(N2CCCC2)N(C(=O)O)SCCCCN

InChI

InChI=1S/C19H29N3O3S/c1-16(23)19(21-12-6-7-13-21,15-17-9-3-2-4-10-17)22(18(24)25)26-14-8-5-11-20/h2-4,9-10H,5-8,11-15,20H2,1H3,(H,24,25)