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

Systemtic Name: 1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(3-ethoxypropyl)thiourea Formula: C18H22ClN5O5S2 MolecularWeight: 487.98078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O5S2/c1-2-29-10-4-9-20-18(30)22-21-16-8-7-15(12-17(16)24(25)26)31(27,28)23-14-6-3-5-13(19)11-14/h3,5-8,11-12,21,23H,2,4,9-10H2,1H3,(H2,20,22,30)