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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C19H20BrClN4O5S2 MolecularWeight: 563.8729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C=C(C1=O)Br

InChI

InChI=1S/C19H20BrClN4O5S2/c1-29-17-9-12(8-14(20)18(17)26)11-22-24-19(31)23-16-10-13(2-3-15(16)21)32(27,28)25-4-6-30-7-5-25/h2-3,8-11,22H,4-7H2,1H3,(H2,23,24,31)