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4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-nitro-benzamide

4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-nitro-benzamide

Systemtic Name:4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-nitro-benzamide
Openeye Name:4-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-nitro-benzamide
CAS Name:4-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-nitrobenzamide
IUPAC Name:4-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-nitrobenzamide
Traditional Name:4-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-nitro-benzamide
Formula: C21H16N4O3S
MolecularWeight: 404.44174
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]


InChI

InChI=1S/C21H16N4O3S/c22-21(26)14-7-10-16(18(12-14)25(27)28)23-15-8-5-13(6-9-15)11-20-24-17-3-1-2-4-19(17)29-20/h1-10,12,23H,11H2,(H2,22,26)


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