3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(4-methoxyphenyl)propan-2-yl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(4-methoxyphenyl)propan-2-yl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[2-(4-methoxyphenyl)-1-methyl-ethyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(4-methoxyphenyl)propan-2-yl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(4-methoxyphenyl)propan-2-yl]thiourea Traditional Name: 1-ethyl-1-[2-(4-methoxyphenyl)-1-methyl-ethyl]-3-piperonyl-thiourea Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)CC1=CC=C(C=C1)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(C(C)CC1=CC=C(C=C1)OC)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O3S/c1-4-23(15(2)11-16-5-8-18(24-3)9-6-16)21(27)22-13-17-7-10-19-20(12-17)26-14-25-19/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,22,27)