3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[2-(1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Traditional Name: 1-methyl-3-piperonyl-1-(2-pyrrolidinobenzyl)thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c1-23(14-17-6-2-3-7-18(17)24-10-4-5-11-24)21(27)22-13-16-8-9-19-20(12-16)26-15-25-19/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H,22,27)