1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-bromanylthiophen-2-yl)butan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-bromanylthiophen-2-yl)butan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-bromo-2-thienyl)butan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(5-bromo-2-thiophenyl)-1-butanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(5-bromo-2-thienyl)butan-1-one Formula: C19H19BrN2OS2 MolecularWeight: 435.40096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CCCC2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19BrN2OS2/c20-17-11-10-13(24-17)5-3-9-18(23)22-12-4-7-15(22)19-21-14-6-1-2-8-16(14)25-19/h1-2,6,8,10-11,15H,3-5,7,9,12H2