N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(4-butoxyphenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C32H33N3O2S2 MolecularWeight: 555.75332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

InChI

InChI=1S/C32H33N3O2S2/c1-3-4-21-37-28-19-17-25(18-20-28)33-31(36)30(24-9-6-5-7-10-24)39-29-12-8-11-27(22-29)35-32(38)34-26-15-13-23(2)14-16-26/h5-20,22,30H,3-4,21H2,1-2H3,(H,33,36)(H2,34,35,38)