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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-quinolin-3-yl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(3-quinolyl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(3-quinolinyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-quinolin-3-ylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(3-quinolyl)butyramide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3S2/c1-29-11-10-18(24-20-16-7-3-5-9-19(16)30(27,28)25-20)21(26)23-15-12-14-6-2-4-8-17(14)22-13-15/h2-9,12-13,18H,10-11H2,1H3,(H,23,26)(H,24,25)