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

Systemtic Name: 1-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-phenethyl-thiourea Openeye Name: 1-(2-nitro-4-sulfamoyl-anilino)-3-phenethyl-thiourea CAS Name: 1-(2-nitro-4-sulfamoylanilino)-3-phenethylthiourea IUPAC Name: 1-(2-nitro-4-sulfamoylanilino)-3-phenethylthiourea Traditional Name: 1-(2-nitro-4-sulfamoyl-anilino)-3-phenethyl-thiourea Formula: C15H17N5O4S2 MolecularWeight: 395.45658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S2/c16-26(23,24)12-6-7-13(14(10-12)20(21)22)18-19-15(25)17-9-8-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H2,16,23,24)(H2,17,19,25)