N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13(2)10-14-6-8-15(9-7-14)18-12-27-20(21-18)22-19(24)16-4-3-5-17(11-16)23(25)26/h3-9,11-13H,10H2,1-2H3,(H,21,22,24)