3-(2-chloranyl-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-thiourea Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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