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

Systemtic Name: 1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butan-1-one CAS Name: 1-(1-azepanyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butan-1-one Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-13(2)16(18(22)21-11-7-3-4-8-12-21)19-17-14-9-5-6-10-15(14)25(23,24)20-17/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3,(H,19,20)