N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-isopropoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-7-19(25)22-16-9-6-10-17(13-16)23-21(28)24-20(26)15-8-5-11-18(12-15)27-14(2)3/h5-6,8-14H,4,7H2,1-3H3,(H,22,25)(H2,23,24,26,28)