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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-4-heptoxy-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(=C2)NC(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-3-5-6-7-8-17-31-22-15-13-19(14-16-22)24(30)28-25(32)27-21-12-9-11-20(18-21)26-23(29)10-4-2/h9,11-16,18H,3-8,10,17H2,1-2H3,(H,26,29)(H2,27,28,30,32)