4-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-nitro-benzamide

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-nitro-benzamide Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-nitro-benzamide CAS Name: 4-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-nitrobenzamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-nitrobenzamide Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-nitro-benzamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c17-16(21)10-5-6-11(13(9-10)20(22)23)18-8-7-15-19-12-3-1-2-4-14(12)24-15/h1-6,9,18H,7-8H2,(H2,17,21)