N-(2,5-dimethoxyphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2,5-dimethoxyphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2,5-dimethoxyphenyl)butyramide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H29N3O4S2/c1-5-25(26(32)30-23-16-21(33-3)13-14-24(23)34-4)36-22-8-6-7-20(15-22)29-27(35)28-19-11-9-18(10-12-19)17(2)31/h6-16,25H,5H2,1-4H3,(H,30,32)(H2,28,29,35)