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

Systemtic Name: 4-heptoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[3-(isobutyrylamino)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(=C2)NC(=O)C(C)C

Isomeric SMILES

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

InChI

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