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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

InChI

InChI=1S/C22H27N3O4S/c1-5-12-29-17-9-6-15(7-10-17)21(27)25-22(30)23-16-8-11-18(19(13-16)28-4)24-20(26)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,24,26)(H2,23,25,27,30)