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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(4-morpholinophenyl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[4-(4-morpholinyl)phenyl]methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea Traditional Name: 1-methyl-1-(4-morpholinobenzyl)-3-piperonyl-thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c1-23(14-16-2-5-18(6-3-16)24-8-10-25-11-9-24)21(28)22-13-17-4-7-19-20(12-17)27-15-26-19/h2-7,12H,8-11,13-15H2,1H3,(H,22,28)