3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethylthiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-1-ethyl-3-piperonyl-thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-4-23(13-15-5-8-17(9-6-15)22(2)3)20(26)21-12-16-7-10-18-19(11-16)25-14-24-18/h5-11H,4,12-14H2,1-3H3,(H,21,26)