N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C26H35N3O3S/c1-5-6-7-8-9-17-32-22-15-13-19(14-16-22)23(30)29-25(33)28-21-12-10-11-20(18-21)27-24(31)26(2,3)4/h10-16,18H,5-9,17H2,1-4H3,(H,27,31)(H2,28,29,30,33)