2,5-bis(azanyl)-N-[1-oxidanylidene-3-phenyl-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)propan-2-yl]pentanamide

Systemtic Name: 2,5-bis(azanyl)-N-[1-oxidanylidene-3-phenyl-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)propan-2-yl]pentanamide Openeye Name: 2,5-diamino-N-[1-benzyl-2-oxo-2-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)ethyl]pentanamide CAS Name: 2,5-diamino-N-[1-(2-mercapto-2H-1,3-benzothiazol-3-yl)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2,5-diamino-N-[1-oxo-3-phenyl-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)propan-2-yl]pentanamide Traditional Name: 2,5-diamino-N-[1-benzyl-2-keto-2-(2-mercapto-2H-1,3-benzothiazol-3-yl)ethyl]valeramide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N2C(SC3=CC=CC=C32)S)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N2C(SC3=CC=CC=C32)S)NC(=O)C(CCCN)N

InChI

InChI=1S/C21H26N4O2S2/c22-12-6-9-15(23)19(26)24-16(13-14-7-2-1-3-8-14)20(27)25-17-10-4-5-11-18(17)29-21(25)28/h1-5,7-8,10-11,15-16,21,28H,6,9,12-13,22-23H2,(H,24,26)