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

Systemtic Name: 4-heptoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-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(=C(C=C2)C)NC(=O)CC

Isomeric SMILES

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

InChI

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