methyl 3-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H20ClN3O5S2 MolecularWeight: 469.9622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H20ClN3O5S2/c1-27-18(24)13-3-2-4-14(11-13)21-19(29)22-17-12-15(5-6-16(17)20)30(25,26)23-7-9-28-10-8-23/h2-6,11-12H,7-10H2,1H3,(H2,21,22,29)