1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(2-methylallyl)thiourea CAS Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(2-methylallyl)thiourea Formula: C17H18ClN5O4S2 MolecularWeight: 455.93892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O4S2/c1-11(2)10-19-17(28)21-20-15-7-6-14(9-16(15)23(24)25)29(26,27)22-13-5-3-4-12(18)8-13/h3-9,20,22H,1,10H2,2H3,(H2,19,21,28)