S-[2-[(2-chloranyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5-tetrahydro-1-benzazepine-1-carbothioate

Systemtic Name: S-[2-[(2-chloranyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3,4,5-tetrahydro-1-benzazepine-1-carbothioate Openeye Name: S-[2-(2-chloro-4-sulfamoyl-anilino)-2-oxo-ethyl] 2,3,4,5-tetrahydro-1-benzazepine-1-carbothioate CAS Name: 2,3,4,5-tetrahydro-1-benzazepine-1-carbothioic acid S-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl] 2,3,4,5-tetrahydro-1-benzazepine-1-carbothioate Traditional Name: 2,3,4,5-tetrahydro-1-benzazepine-1-carbothioic acid S-[2-(2-chloro-4-sulfamoyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)SCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)SCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C19H20ClN3O4S2/c20-15-11-14(29(21,26)27)8-9-16(15)22-18(24)12-28-19(25)23-10-4-3-6-13-5-1-2-7-17(13)23/h1-2,5,7-9,11H,3-4,6,10,12H2,(H,22,24)(H2,21,26,27)