3-(1,3-benzodioxol-5-yl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C22H28N2O4S/c1-3-25-21(26-4-2)15-24(13-12-17-8-6-5-7-9-17)22(29)23-18-10-11-19-20(14-18)28-16-27-19/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,29)