N-(3,5-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3,5-dimethoxyphenyl)butanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S2/c1-4-23(24(29)26-19-13-20(30-2)16-21(14-19)31-3)33-22-12-8-11-18(15-22)28-25(32)27-17-9-6-5-7-10-17/h5-16,23H,4H2,1-3H3,(H,26,29)(H2,27,28,32)