3-(2-chloranyl-5-nitro-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S/c1-2-21(10-13-11-25-16-5-3-4-6-17(16)26-13)18(27)20-15-9-12(22(23)24)7-8-14(15)19/h3-9,13H,2,10-11H2,1H3,(H,20,27)/t13-/m0/s1