3-(1,3-benzodioxol-5-ylmethyl)-1-(2-dimethylaminoethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-dimethylaminoethyl)-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(2-dimethylaminoethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-dimethylaminoethyl)-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(2-dimethylaminoethyl)thiourea Traditional Name: 1-benzyl-1-(2-dimethylaminoethyl)-3-piperonyl-thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-22(2)10-11-23(14-16-6-4-3-5-7-16)20(26)21-13-17-8-9-18-19(12-17)25-15-24-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,21,26)