N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-4-methoxyphenyl)butanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C24H24ClN3O2S2 MolecularWeight: 486.04926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C24H24ClN3O2S2/c1-3-22(23(29)26-18-12-13-21(30-2)20(25)15-18)32-19-11-7-10-17(14-19)28-24(31)27-16-8-5-4-6-9-16/h4-15,22H,3H2,1-2H3,(H,26,29)(H2,27,28,31)