N-(1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)carbamothioylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)carbamothioylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)carbamothioylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)carbamothioylamino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)thiocarbamoylamino]benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19N3O4S/c1-27-16-6-4-5-14(11-16)24-22(30)25-18-8-3-2-7-17(18)21(26)23-15-9-10-19-20(12-15)29-13-28-19/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,30)