N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylthio)-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylthio)-3-phenyl-imidazole-4-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4

InChI

InChI=1S/C20H18ClN3O3S/c1-28-20-22-12-16(24(20)13-6-3-2-4-7-13)19(25)23-15-11-18-17(10-14(15)21)26-8-5-9-27-18/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,23,25)