3-(2-chloranyl-5-nitro-phenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(4-methoxyphenyl)-1-salicyl-thiourea Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CC=C2O)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2O)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-29-17-9-6-15(7-10-17)24(13-14-4-2-3-5-20(14)26)21(30)23-19-12-16(25(27)28)8-11-18(19)22/h2-12,26H,13H2,1H3,(H,23,30)