N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carbothioamide

Systemtic Name: N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carbothioamide Openeye Name: N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carbothioamide CAS Name: N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxin-6-carbothioamide IUPAC Name: N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carbothioamide Traditional Name: N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxin-6-carbothioamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=S)C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](CC(C1)NC(=S)C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H23N3O2S/c28-22(15-8-9-19-20(13-15)27-11-10-26-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-2,6-9,13-14,16H,3-5,10-12H2,(H,23,28)(H,24,25)/t14-,16?/m0/s1