4-(4-chloranylphenoxy)-N-[[4-(diethylamino)phenyl]carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[[4-(diethylamino)phenyl]carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]thiocarbamoyl]butyramide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-3-25(4-2)18-11-9-17(10-12-18)23-21(28)24-20(26)6-5-15-27-19-13-7-16(22)8-14-19/h7-14H,3-6,15H2,1-2H3,(H2,23,24,26,28)