N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-N-pentyl-benzamide

Systemtic Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-N-pentyl-benzamide Openeye Name: N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3,5-dinitro-N-pentyl-benzamide CAS Name: N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-3,5-dinitro-N-pentylbenzamide IUPAC Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dinitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-3,5-dinitro-benzamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=NC=C(S1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=NC=C(S1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-3-4-5-6-21(11-16(24)20-18-19-10-12(2)30-18)17(25)13-7-14(22(26)27)9-15(8-13)23(28)29/h7-10H,3-6,11H2,1-2H3,(H,19,20,24)