N-(3-chloranyl-4-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetamide Formula: C29H26ClN3O2S2 MolecularWeight: 548.11864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC)Cl

InChI

InChI=1S/C29H26ClN3O2S2/c1-19-15-16-22(18-24(19)30)31-28(34)27(20-9-4-3-5-10-20)37-23-12-8-11-21(17-23)32-29(36)33-25-13-6-7-14-26(25)35-2/h3-18,27H,1-2H3,(H,31,34)(H2,32,33,36)