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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-dimethylaminophenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-dimethylaminophenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-dimethylaminophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-dimethylaminophenyl)methyl]thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-piperonyl-thiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-21(2)15-6-3-13(4-7-15)10-19-18(24)20-11-14-5-8-16-17(9-14)23-12-22-16/h3-9H,10-12H2,1-2H3,(H2,19,20,24)