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

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-butoxyphenyl)acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-butoxyphenyl)acetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-butoxyphenyl)acetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-butoxyphenyl)acetamide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H29N3O3S2/c1-3-4-16-33-24-14-12-21(13-15-24)28-26(32)18-35-25-7-5-6-23(17-25)30-27(34)29-22-10-8-20(9-11-22)19(2)31/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,32)(H2,29,30,34)