2-[3-[(2S)-2-methylpyrrolidin-1-yl]cyclobutyl]-6-quinolin-3-yl-1,3-benzothiazole

Systemtic Name: 2-[3-[(2S)-2-methylpyrrolidin-1-yl]cyclobutyl]-6-quinolin-3-yl-1,3-benzothiazole Openeye Name: 2-[3-[(2S)-2-methylpyrrolidin-1-yl]cyclobutyl]-6-(3-quinolyl)-1,3-benzothiazole CAS Name: 2-[3-[(2S)-2-methyl-1-pyrrolidinyl]cyclobutyl]-6-(3-quinolinyl)-1,3-benzothiazole IUPAC Name: 2-[3-[(2S)-2-methylpyrrolidin-1-yl]cyclobutyl]-6-quinolin-3-yl-1,3-benzothiazole Traditional Name: 2-[3-[(2S)-2-methylpyrrolidino]cyclobutyl]-6-(3-quinolyl)-1,3-benzothiazole Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2CC(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

C[C@H]1CCCN1C2CC(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C25H25N3S/c1-16-5-4-10-28(16)21-12-19(13-21)25-27-23-9-8-17(14-24(23)29-25)20-11-18-6-2-3-7-22(18)26-15-20/h2-3,6-9,11,14-16,19,21H,4-5,10,12-13H2,1H3/t16-,19?,21?/m0/s1