2-azanyl-N-[5-azanyl-1-oxidanylidene-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)pentan-2-yl]-3-naphthalen-2-yl-propanamide

Systemtic Name: 2-azanyl-N-[5-azanyl-1-oxidanylidene-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)pentan-2-yl]-3-naphthalen-2-yl-propanamide Openeye Name: 2-amino-N-[4-amino-1-(2-sulfanyl-2H-1,3-benzothiazole-3-carbonyl)butyl]-3-(2-naphthyl)propanamide CAS Name: 2-amino-N-[5-amino-1-(2-mercapto-2H-1,3-benzothiazol-3-yl)-1-oxopentan-2-yl]-3-(2-naphthalenyl)propanamide IUPAC Name: 2-amino-N-[5-amino-1-oxo-1-(2-sulfanyl-2H-1,3-benzothiazol-3-yl)pentan-2-yl]-3-naphthalen-2-ylpropanamide Traditional Name: 2-amino-N-[4-amino-1-(2-mercapto-2H-1,3-benzothiazole-3-carbonyl)butyl]-3-(2-naphthyl)propionamide Formula: C25H28N4O2S2 MolecularWeight: 480.64542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NC(CCCN)C(=O)N3C(SC4=CC=CC=C43)S)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NC(CCCN)C(=O)N3C(SC4=CC=CC=C43)S)N

InChI

InChI=1S/C25H28N4O2S2/c26-13-5-8-20(24(31)29-21-9-3-4-10-22(21)33-25(29)32)28-23(30)19(27)15-16-11-12-17-6-1-2-7-18(17)14-16/h1-4,6-7,9-12,14,19-20,25,32H,5,8,13,15,26-27H2,(H,28,30)