N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-chloro-2,4-dimethoxyphenyl)butanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H26ClN3O3S2 MolecularWeight: 516.07524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H26ClN3O3S2/c1-4-23(24(30)29-20-14-19(26)21(31-2)15-22(20)32-3)34-18-12-8-11-17(13-18)28-25(33)27-16-9-6-5-7-10-16/h5-15,23H,4H2,1-3H3,(H,29,30)(H2,27,28,33)