1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butan-1-one CAS Name: 1-(1-azepanyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-1-butanone IUPAC Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butan-1-one Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)N1CCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H25N3O3S2/c1-25-13-10-15(18(22)21-11-6-2-3-7-12-21)19-17-14-8-4-5-9-16(14)26(23,24)20-17/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H,19,20)