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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea Traditional Name: 1-(2,2-diethoxyethyl)-1-phenethyl-3-piperonyl-thiourea Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C23H30N2O4S/c1-3-26-22(27-4-2)16-25(13-12-18-8-6-5-7-9-18)23(30)24-15-19-10-11-20-21(14-19)29-17-28-20/h5-11,14,22H,3-4,12-13,15-17H2,1-2H3,(H,24,30)