2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(1-propyl-2-benzimidazolyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(1-propylbenzimidazol-2-yl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(1-propylbenzimidazol-2-yl)butyramide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C(CCSC)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C(CCSC)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N5O3S2/c1-3-13-27-18-10-6-5-9-16(18)24-22(27)25-21(28)17(12-14-31-2)23-20-15-8-4-7-11-19(15)32(29,30)26-20/h4-11,17H,3,12-14H2,1-2H3,(H,23,26)(H,24,25,28)