(phenylmethyl) N-[(3R)-1-(3-azanylpropyl)-3-methyl-2-sulfanylidene-pyrrolidin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3R)-1-(3-azanylpropyl)-3-methyl-2-sulfanylidene-pyrrolidin-3-yl]carbamate Openeye Name: benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-thioxo-pyrrolidin-3-yl]carbamate CAS Name: N-[(3R)-1-(3-aminopropyl)-3-methyl-2-sulfanylidene-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-sulfanylidenepyrrolidin-3-yl]carbamate Traditional Name: N-[(3R)-1-(3-aminopropyl)-3-methyl-2-thioxo-pyrrolidin-3-yl]carbamic acid benzyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1=S)CCCN)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@]1(CCN(C1=S)CCCN)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O2S/c1-16(8-11-19(14(16)22)10-5-9-17)18-15(20)21-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12,17H2,1H3,(H,18,20)/t16-/m1/s1