N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C30H28ClN3O2S2 MolecularWeight: 562.14522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C(=C4)C)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C(=C4)C)Cl)OC

InChI

InChI=1S/C30H28ClN3O2S2/c1-19-12-14-22(15-13-19)32-30(37)33-23-10-7-11-24(17-23)38-28(21-8-5-4-6-9-21)29(35)34-26-16-20(2)25(31)18-27(26)36-3/h4-18,28H,1-3H3,(H,34,35)(H2,32,33,37)