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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-phenethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-phenethyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-phenethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-chloro-5-nitrophenyl)-1-phenethylthiourea Traditional Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-phenethyl-thiourea Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O2S/c23-20-12-11-19(26(27)28)15-21(20)24-22(29)25(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,24,29)