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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

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