N-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-6-yl)methyl]-2-azanyl-pentanediamide

Systemtic Name: N-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-6-yl)methyl]-2-azanyl-pentanediamide Openeye Name: 2-amino-N-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-6-yl)methyl]pentanediamide CAS Name: 2-amino-N-[[2-carbamoyl-3-(phenylthio)-1H-indol-6-yl]methyl]pentanediamide IUPAC Name: 2-amino-N-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-6-yl)methyl]pentanediamide Traditional Name: 2-amino-N-[[2-carbamoyl-3-(phenylthio)-1H-indol-6-yl]methyl]glutaramide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CCC(=O)N)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CCC(=O)N)N)C(=O)N

InChI

InChI=1S/C21H23N5O3S/c22-15(8-9-17(23)27)21(29)25-11-12-6-7-14-16(10-12)26-18(20(24)28)19(14)30-13-4-2-1-3-5-13/h1-7,10,15,26H,8-9,11,22H2,(H2,23,27)(H2,24,28)(H,25,29)