3-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-(phenylmethyl)benzamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-(phenylmethyl)benzamide Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-benzyl-benzamide CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-benzylbenzamide Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)-N-benzyl-benzamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c26-21(23-13-15-5-2-1-3-6-15)16-7-4-8-17(11-16)24-22(29)25-18-9-10-19-20(12-18)28-14-27-19/h1-12H,13-14H2,(H,23,26)(H2,24,25,29)