N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: 3-methyl-4-nitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O3S/c1-4-13(2)15-5-7-16(8-6-15)18-12-28-21(22-18)23-20(25)17-9-10-19(24(26)27)14(3)11-17/h5-13H,4H2,1-3H3,(H,22,23,25)