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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

InChI

InChI=1S/C23H29N3O3S/c1-4-6-7-15-29-18-13-11-17(12-14-18)22(28)26-23(30)25-20-10-8-9-19(16(20)3)24-21(27)5-2/h8-14H,4-7,15H2,1-3H3,(H,24,27)(H2,25,26,28,30)