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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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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=C4OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C25H25N3O4S2/c1-3-23(24(29)26-17-11-12-21-22(14-17)32-15-31-21)34-18-8-6-7-16(13-18)27-25(33)28-19-9-4-5-10-20(19)30-2/h4-14,23H,3,15H2,1-2H3,(H,26,29)(H2,27,28,33)