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

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-butoxyphenyl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-butoxyphenyl)-2-phenylacetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-butoxyphenyl)-2-phenylacetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-butoxyphenyl)-2-phenyl-acetamide Formula: C33H33N3O3S2 MolecularWeight: 583.76342

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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(=O)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(=O)C

InChI

InChI=1S/C33H33N3O3S2/c1-3-4-21-39-29-19-17-26(18-20-29)34-32(38)31(25-9-6-5-7-10-25)41-30-12-8-11-28(22-30)36-33(40)35-27-15-13-24(14-16-27)23(2)37/h5-20,22,31H,3-4,21H2,1-2H3,(H,34,38)(H2,35,36,40)