4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C25H33N3O3S/c1-4-5-6-7-16-31-22-14-8-19(9-15-22)24(30)28-25(32)27-21-12-10-20(11-13-21)26-23(29)17-18(2)3/h8-15,18H,4-7,16-17H2,1-3H3,(H,26,29)(H2,27,28,30,32)