3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-morpholino-2-oxo-ethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[2-(4-morpholinyl)-2-oxoethyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea Traditional Name: 1-(2-keto-2-morpholino-ethyl)-1-methyl-3-piperonyl-thiourea Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCOCC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC(=O)N1CCOCC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4S/c1-18(10-15(20)19-4-6-21-7-5-19)16(24)17-9-12-2-3-13-14(8-12)23-11-22-13/h2-3,8H,4-7,9-11H2,1H3,(H,17,24)