1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(4-nitrophenyl)thiourea Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-2-20(11-15-12-24-16-5-3-4-6-17(16)25-15)18(26)19-13-7-9-14(10-8-13)21(22)23/h3-10,15H,2,11-12H2,1H3,(H,19,26)/t15-/m0/s1