2-azanyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-sulfanyl-benzamide

Systemtic Name: 2-azanyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-sulfanyl-benzamide Openeye Name: 2-amino-N-[2-oxo-2-[[(3R)-1-(p-tolylmethyl)pyrrolidin-3-yl]amino]ethyl]-5-sulfanyl-benzamide CAS Name: 2-amino-5-mercapto-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]benzamide IUPAC Name: 2-amino-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-sulfanylbenzamide Traditional Name: 2-amino-N-[2-keto-2-[[(3R)-1-(4-methylbenzyl)pyrrolidin-3-yl]amino]ethyl]-5-mercapto-benzamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)S)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)S)N

InChI

InChI=1S/C21H26N4O2S/c1-14-2-4-15(5-3-14)12-25-9-8-16(13-25)24-20(26)11-23-21(27)18-10-17(28)6-7-19(18)22/h2-7,10,16,28H,8-9,11-13,22H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1