1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-(4-nitrophenyl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-(4-nitrophenyl)thiourea Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-2-20(12-13-3-8-16-17(11-13)25-10-9-24-16)18(26)19-14-4-6-15(7-5-14)21(22)23/h3-8,11H,2,9-10,12H2,1H3,(H,19,26)