N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-5-6-7-21(27)25-19-13-10-17(14-20(19)29-4)24-23(31)26-22(28)16-8-11-18(12-9-16)30-15(2)3/h8-15H,5-7H2,1-4H3,(H,25,27)(H2,24,26,28,31)