N-(2,6-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2,6-dimethylphenyl)butyramide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H29N3O2S2/c1-5-24(26(32)30-25-17(2)8-6-9-18(25)3)34-23-11-7-10-22(16-23)29-27(33)28-21-14-12-20(13-15-21)19(4)31/h6-16,24H,5H2,1-4H3,(H,30,32)(H2,28,29,33)