N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(methylamino)-5-nitro-benzamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4O3S/c1-19-14-9-8-12(22(24)25)11-13(14)18(23)20-10-4-7-17-21-15-5-2-3-6-16(15)26-17/h2-3,5-6,8-9,11,19H,4,7,10H2,1H3,(H,20,23)