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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S/c1-20(10-11-2-5-15-16(8-11)25-7-6-24-15)17(26)19-14-9-12(21(22)23)3-4-13(14)18/h2-5,8-9H,6-7,10H2,1H3,(H,19,26)