N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1,3-benzodioxol-5-yl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1,3-benzodioxol-5-yl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)butyramide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H25N3O4S2/c1-3-24(25(31)27-20-11-12-22-23(14-20)33-15-32-22)35-21-6-4-5-19(13-21)29-26(34)28-18-9-7-17(8-10-18)16(2)30/h4-14,24H,3,15H2,1-2H3,(H,27,31)(H2,28,29,34)