1-(2-azanylbutanoyl)-5-chloranyl-N-(2-methylsulfanylethyl)-2,3-dihydroindole-2-carboxamide

Systemtic Name: 1-(2-azanylbutanoyl)-5-chloranyl-N-(2-methylsulfanylethyl)-2,3-dihydroindole-2-carboxamide Openeye Name: 1-(2-aminobutanoyl)-5-chloro-N-(2-methylsulfanylethyl)indoline-2-carboxamide CAS Name: 1-(2-amino-1-oxobutyl)-5-chloro-N-[2-(methylthio)ethyl]-2,3-dihydroindole-2-carboxamide IUPAC Name: 1-(2-aminobutanoyl)-5-chloro-N-(2-methylsulfanylethyl)-2,3-dihydroindole-2-carboxamide Traditional Name: 1-(2-aminobutanoyl)-5-chloro-N-[2-(methylthio)ethyl]indoline-2-carboxamide Formula: C16H22ClN3O2S MolecularWeight: 355.88278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(CC2=C1C=CC(=C2)Cl)C(=O)NCCSC)N

Isomeric SMILES

CCC(C(=O)N1C(CC2=C1C=CC(=C2)Cl)C(=O)NCCSC)N

InChI

InChI=1S/C16H22ClN3O2S/c1-3-12(18)16(22)20-13-5-4-11(17)8-10(13)9-14(20)15(21)19-6-7-23-2/h4-5,8,12,14H,3,6-7,9,18H2,1-2H3,(H,19,21)