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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-5-6-19(25)23-17-12-11-16(13-18(17)27-3)22-21(28)24-20(26)15-9-7-14(2)8-10-15/h7-13H,4-6H2,1-3H3,(H,23,25)(H2,22,24,26,28)