2-azanyl-N-[5-azanyl-1-oxidanylidene-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)pentan-2-yl]-4-phenyl-butanamide

Systemtic Name: 2-azanyl-N-[5-azanyl-1-oxidanylidene-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)pentan-2-yl]-4-phenyl-butanamide Openeye Name: 2-amino-N-[4-amino-1-(2-sulfanyl-2H-1,3-benzothiazole-3-carbonyl)butyl]-4-phenyl-butanamide CAS Name: 2-amino-N-[5-amino-1-(2-mercapto-2H-1,3-benzothiazol-3-yl)-1-oxopentan-2-yl]-4-phenylbutanamide IUPAC Name: 2-amino-N-[5-amino-1-oxo-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)pentan-2-yl]-4-phenylbutanamide Traditional Name: 2-amino-N-[4-amino-1-(2-mercapto-2H-1,3-benzothiazole-3-carbonyl)butyl]-4-phenyl-butyramide Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S2/c23-14-6-9-17(21(28)26-18-10-4-5-11-19(18)30-22(26)29)25-20(27)16(24)13-12-15-7-2-1-3-8-15/h1-5,7-8,10-11,16-17,22,29H,6,9,12-14,23-24H2,(H,25,27)