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

Systemtic Name: 1-[2-(6-methanoyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-phenethyl-thiourea Openeye Name: 1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-phenethyl-thiourea CAS Name: 1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-phenethylthiourea IUPAC Name: 1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-phenethylthiourea Traditional Name: 1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methyl-3-phenethyl-thiourea Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-23(21(28)22-10-8-15-6-4-3-5-7-15)11-9-16-12-18-20(27-14-26-18)19(25-2)17(16)13-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,28)