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

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-19(25)23-18-12-16(9-6-14(18)4)22-21(28)24-20(26)15-7-10-17(11-8-15)27-13(2)3/h6-13H,5H2,1-4H3,(H,23,25)(H2,22,24,26,28)