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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1,1-dibenzyl-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c22-19-12-11-18(25(26)27)13-20(19)23-21(28)24(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,23,28)