2-(butylcarbamoylamino)-N-(2,6-dimethyl-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(butylcarbamoylamino)-N-(2,6-dimethyl-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: 2-(butylcarbamoylamino)-N-(2,6-dimethyl-3-nitro-phenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-[[butylamino(oxo)methyl]amino]-N-(2,6-dimethyl-3-nitrophenyl)-4-methyl-5-thiazolecarboxamide IUPAC Name: 2-(butylcarbamoylamino)-N-(2,6-dimethyl-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: 2-(butylcarbamoylamino)-N-(2,6-dimethyl-3-nitro-phenyl)-4-methyl-thiazole-5-carboxamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC(=C(S1)C(=O)NC2=C(C=CC(=C2C)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCNC(=O)NC1=NC(=C(S1)C(=O)NC2=C(C=CC(=C2C)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H23N5O4S/c1-5-6-9-19-17(25)22-18-20-12(4)15(28-18)16(24)21-14-10(2)7-8-13(11(14)3)23(26)27/h7-8H,5-6,9H2,1-4H3,(H,21,24)(H2,19,20,22,25)