1-(4-chlorophenyl)-3-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-(2-morpholinosulfonyl-4-nitro-anilino)thiourea CAS Name: 1-(4-chlorophenyl)-3-[2-(4-morpholinylsulfonyl)-4-nitroanilino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-(2-morpholin-4-ylsulfonyl-4-nitroanilino)thiourea Traditional Name: 1-(4-chlorophenyl)-3-(2-morpholinosulfonyl-4-nitro-anilino)thiourea Formula: C17H18ClN5O5S2 MolecularWeight: 471.93832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN5O5S2/c18-12-1-3-13(4-2-12)19-17(29)21-20-15-6-5-14(23(24)25)11-16(15)30(26,27)22-7-9-28-10-8-22/h1-6,11,20H,7-10H2,(H2,19,21,29)