1-[(2,4-dinitrophenyl)amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2,4-dinitrophenyl)amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,4-dinitroanilino)thiourea CAS Name: 1-(2,4-dinitroanilino)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,4-dinitroanilino)thiourea Traditional Name: 1-benzyl-3-(2,4-dinitroanilino)thiourea Formula: C14H13N5O4S MolecularWeight: 347.34912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c20-18(21)11-6-7-12(13(8-11)19(22)23)16-17-14(24)15-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H2,15,17,24)