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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-15(22(27)24-18-9-12-20-21(13-18)29-14-28-20)31-19-10-7-17(8-11-19)26-23(30)25-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,24,27)(H2,25,26,30)