1-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-nitro-4-sulfamoyl-anilino)thiourea CAS Name: 1-(2-nitro-4-sulfamoylanilino)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-nitro-4-sulfamoylanilino)thiourea Traditional Name: 1-benzyl-3-(2-nitro-4-sulfamoyl-anilino)thiourea Formula: C14H15N5O4S2 MolecularWeight: 381.43

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O4S2/c15-25(22,23)11-6-7-12(13(8-11)19(20)21)17-18-14(24)16-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H2,15,22,23)(H2,16,18,24)