1-[2-(6-methanoyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(6-methanoyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-thiourea CAS Name: 1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea Traditional Name: 3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-thiourea Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-22(20(27)21-11-14-6-4-3-5-7-14)9-8-15-10-17-19(26-13-25-17)18(24-2)16(15)12-23/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,27)