6-[(2-azanylpropanoylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[(2-azanylpropanoylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[(2-aminopropanoylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(2-amino-1-oxopropyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[(2-aminopropanoylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[(alanylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)C(=C(N2)C(=O)N)SC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)C(=C(N2)C(=O)N)SC3=CC=CC=C3)N

InChI

InChI=1S/C19H20N4O2S/c1-11(20)19(25)22-10-12-7-8-14-15(9-12)23-16(18(21)24)17(14)26-13-5-3-2-4-6-13/h2-9,11,23H,10,20H2,1H3,(H2,21,24)(H,22,25)