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

Systemtic Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(C(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(C(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-10(2)19(9-14(21)18-16-17-8-11(3)25-16)15(22)12-5-4-6-13(7-12)20(23)24/h4-8,10H,9H2,1-3H3,(H,17,18,21)