3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H16N4O5S/c1-11-6-7-12(21(23)24)10-14(11)19-16(22)8-9-18-17-13-4-2-3-5-15(13)27(25,26)20-17/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,22)