3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]thiourea Openeye Name: 1-[(4-allyloxyphenyl)methyl]-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]thiourea Traditional Name: 1-(4-allyloxybenzyl)-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-3-10-25-15-7-4-13(5-8-15)12-21(2)18(26)20-17-11-14(22(23)24)6-9-16(17)19/h3-9,11H,1,10,12H2,2H3,(H,20,26)