4-tert-butyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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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)C(C)(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-6-7-8-21(28)26-19-14-13-18(15-20(19)30-5)25-23(31)27-22(29)16-9-11-17(12-10-16)24(2,3)4/h9-15H,6-8H2,1-5H3,(H,26,28)(H2,25,27,29,31)