N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-6-7-20(26)24-18-9-8-17(13-19(18)28-4)23-22(29)25-21(27)16-11-14(2)10-15(3)12-16/h8-13H,5-7H2,1-4H3,(H,24,26)(H2,23,25,27,29)