1-(2-azanylethanoyl)-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanylethanoyl)-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-aminoacetyl)-N-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxoethyl)-N-[4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-aminoacetyl)-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-glycyl-N-[3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]pyrrolidine-2-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C3CCCN3C(=O)CN

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C3CCCN3C(=O)CN

InChI

InChI=1S/C22H28N4O3S/c1-30-12-10-18(25-22(29)19-7-4-11-26(19)20(27)14-23)21(28)24-17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13,18-19H,4,7,10-12,14,23H2,1H3,(H,24,28)(H,25,29)