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

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C18H18ClN5O6S2 MolecularWeight: 499.94842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O6S2/c19-13-9-12(17(25)16(10-13)24(26)27)11-20-22-18(31)21-14-1-3-15(4-2-14)32(28,29)23-5-7-30-8-6-23/h1-4,9-11,20H,5-8H2,(H2,21,22,31)