N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl]-3-methyl-4-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCCNC2=NS(=O)(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCCNC2=NS(=O)(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12-11-13(7-8-15(12)22(24)25)18(23)20-10-4-9-19-17-14-5-2-3-6-16(14)28(26,27)21-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,21)(H,20,23)