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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S2/c1-2-22(23(28)25-18-11-12-20-21(14-18)30-15-29-20)32-19-10-6-9-17(13-19)27-24(31)26-16-7-4-3-5-8-16/h3-14,22H,2,15H2,1H3,(H,25,28)(H2,26,27,31)