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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[3-(isobutyrylamino)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(=C2)NC(=O)C(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

InChI

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