3-(2-chloranyl-5-nitro-phenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(2-ethylbenzofuran-3-yl)methyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(2-ethyl-3-benzofuranyl)methyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[(2-ethylbenzofuran-3-yl)methyl]-1-methyl-thiourea Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-3-17-14(13-6-4-5-7-18(13)26-17)11-22(2)19(27)21-16-10-12(23(24)25)8-9-15(16)20/h4-10H,3,11H2,1-2H3,(H,21,27)