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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanamide Traditional Name: N-benzyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butyramide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H21N3O3S2/c1-26-12-11-16(19(23)20-13-14-7-3-2-4-8-14)21-18-15-9-5-6-10-17(15)27(24,25)22-18/h2-10,16H,11-13H2,1H3,(H,20,23)(H,21,22)