N-[3-(butanoylcarbamothioylamino)phenyl]-2,4-bis(chloranyl)benzamide

Systemtic Name: N-[3-(butanoylcarbamothioylamino)phenyl]-2,4-bis(chloranyl)benzamide Openeye Name: N-[3-(butanoylcarbamothioylamino)phenyl]-2,4-dichloro-benzamide CAS Name: 2,4-dichloro-N-[3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[3-(butanoylcarbamothioylamino)phenyl]-2,4-dichlorobenzamide Traditional Name: N-[3-(butyrylthiocarbamoylamino)phenyl]-2,4-dichloro-benzamide Formula: C18H17Cl2N3O2S MolecularWeight: 410.31748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O2S/c1-2-4-16(24)23-18(26)22-13-6-3-5-12(10-13)21-17(25)14-8-7-11(19)9-15(14)20/h3,5-10H,2,4H2,1H3,(H,21,25)(H2,22,23,24,26)