1-[3-(4-methylphenyl)carbonylimidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[3-(4-methylphenyl)carbonylimidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[3-[(4-methylphenyl)-oxomethyl]-1-imidazolidinyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-(3-p-toluoylimidazolidin-1-yl)ethanone Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-13-2-4-14(5-3-13)19(27)24-9-8-23(12-24)18(26)11-30-20-21-16-7-6-15(25(28)29)10-17(16)22-20/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)