N-(1,3-benzodioxol-5-ylmethyl)-2-[[(phenylmethyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(phenylmethyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[benzyl(2-thienylmethyl)carbamothioyl]amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[benzyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetamide Traditional Name: 2-[[benzyl(2-thenyl)thiocarbamoyl]amino]-N-piperonyl-acetamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC(=S)N(CC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC(=S)N(CC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H23N3O3S2/c27-22(24-12-18-8-9-20-21(11-18)29-16-28-20)13-25-23(30)26(15-19-7-4-10-31-19)14-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,24,27)(H,25,30)