2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H26N4O3S/c25-28-15-19(17-6-2-1-3-7-17)26-24(28)32-16-23(29)27-11-4-8-20(27)18-9-10-21-22(14-18)31-13-5-12-30-21/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16,25H2