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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(2-methoxyethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-(2-methoxyethyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(2-methoxyethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-chloro-5-nitrophenyl)-1-(2-methoxyethyl)thiourea Traditional Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-(2-methoxyethyl)thiourea Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c1-24-10-9-20(12-13-5-3-2-4-6-13)17(25)19-16-11-14(21(22)23)7-8-15(16)18/h2-8,11H,9-10,12H2,1H3,(H,19,25)