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

Systemtic Name: 1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-cyclopropyl-thiourea Openeye Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-cyclopropyl-thiourea CAS Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-cyclopropylthiourea IUPAC Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-cyclopropylthiourea Traditional Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-cyclopropyl-thiourea Formula: C16H16ClN5O4S2 MolecularWeight: 441.91234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN5O4S2/c17-10-2-1-3-12(8-10)21-28(25,26)13-6-7-14(15(9-13)22(23)24)19-20-16(27)18-11-4-5-11/h1-3,6-9,11,19,21H,4-5H2,(H2,18,20,27)