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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[4-(diethylamino)phenyl]methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[4-(diethylamino)phenyl]methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[4-(diethylamino)phenyl]methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[4-(diethylamino)phenyl]methyl]-1-methylthiourea Traditional Name: 1-[4-(diethylamino)benzyl]-1-methyl-3-piperonyl-thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-4-24(5-2)18-9-6-16(7-10-18)14-23(3)21(27)22-13-17-8-11-19-20(12-17)26-15-25-19/h6-12H,4-5,13-15H2,1-3H3,(H,22,27)