N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H22ClN3O3S/c1-29-10-7-17(20-23-15-5-2-3-6-16(15)24-20)25-21(26)13-11-14(22)19-18(12-13)27-8-4-9-28-19/h2-3,5-6,11-12,17H,4,7-10H2,1H3,(H,23,24)(H,25,26)