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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3-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(=CC=C2)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-5-9-19(25)23-17-11-10-16(13-18(17)27-3)22-21(28)24-20(26)15-8-6-7-14(2)12-15/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,25)(H2,22,24,26,28)