N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanamide Openeye Name: 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)-N-thiochroman-4-yl-propanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-ethyl-5-sulfamoyl-2-benzimidazolyl)propanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)propanamide Traditional Name: 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)-N-thiochroman-4-yl-propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H24N4O3S2/c1-2-25-18-8-7-14(30(22,27)28)13-17(18)23-20(25)9-10-21(26)24-16-11-12-29-19-6-4-3-5-15(16)19/h3-8,13,16H,2,9-12H2,1H3,(H,24,26)(H2,22,27,28)