1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C18H17Cl2N5O6S2 MolecularWeight: 534.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17Cl2N5O6S2/c19-12-7-11(17(26)16(8-12)25(27)28)10-21-23-18(32)22-15-9-13(1-2-14(15)20)33(29,30)24-3-5-31-6-4-24/h1-2,7-10,21H,3-6H2,(H2,22,23,32)