3-(2-chloranyl-5-nitro-phenyl)-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-(2-hydroxyethyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-chloro-5-nitrophenyl)-1-(2-hydroxyethyl)thiourea Traditional Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-(2-hydroxyethyl)thiourea Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3S/c17-14-7-6-13(20(22)23)10-15(14)18-16(24)19(8-9-21)11-12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2,(H,18,24)