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3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide

3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name:3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
Openeye Name:3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
CAS Name:3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
IUPAC Name:3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
Traditional Name:3-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide
Formula: C20H29N5O3S
MolecularWeight: 419.54096
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C20H29N5O3S/c1-2-3-4-5-6-7-8-9-10-14-21-19-23-24-20(29-19)22-18(26)16-12-11-13-17(15-16)25(27)28/h11-13,15H,2-10,14H2,1H3,(H,21,23)(H,22,24,26)


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