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

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)CC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)CC

InChI

InChI=1S/C23H29N3O3S/c1-4-6-9-14-29-20-11-8-7-10-18(20)22(28)26-23(30)24-17-13-12-16(3)19(15-17)25-21(27)5-2/h7-8,10-13,15H,4-6,9,14H2,1-3H3,(H,25,27)(H2,24,26,28,30)