2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3OS2/c1-14(26-20-22-17-13-15(21)7-8-18(17)27-20)19(25)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3