N-(5-chloranyl-2-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-chloro-2-methoxyphenyl)butanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(5-chloro-2-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=C(C=CC(=C1)Cl)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

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