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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-3-13(2)14-7-9-15(10-8-14)18-12-27-20(21-18)22-19(24)16-5-4-6-17(11-16)23(25)26/h4-13H,3H2,1-2H3,(H,21,22,24)