N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C25H21ClN4O2S MolecularWeight: 476.97784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C25H21ClN4O2S/c26-18-4-3-5-20(16-18)29-12-14-30(15-13-29)25(32)17-8-10-19(11-9-17)27-24(31)23-21-6-1-2-7-22(21)33-28-23/h1-11,16H,12-15H2,(H,27,31)