1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-[(4-chlorophenyl)thio]-1-butanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)sulfanylbutan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-[(4-chlorophenyl)thio]butan-1-one Formula: C21H21ClN2OS2 MolecularWeight: 416.98724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21ClN2OS2/c22-15-9-11-16(12-10-15)26-14-4-8-20(25)24-13-3-6-18(24)21-23-17-5-1-2-7-19(17)27-21/h1-2,5,7,9-12,18H,3-4,6,8,13-14H2