4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4O2S2/c21-14-6-7-17-16(12-14)23-20(29-17)28-13-18(26)24-8-10-25(11-9-24)19(27)22-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,27)