4-heptoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

InChI

InChI=1S/C25H33N3O3S/c1-4-6-7-8-9-17-31-20-15-13-19(14-16-20)24(30)28-25(32)27-22-12-10-11-21(18(22)3)26-23(29)5-2/h10-16H,4-9,17H2,1-3H3,(H,26,29)(H2,27,28,30,32)