1-(4-azanyl-3-nitro-phenyl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C17H18ClN5O5S2 MolecularWeight: 471.93832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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