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

Systemtic Name: N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54)C

InChI

InChI=1S/C27H26N4O2S/c1-18-6-5-8-23(19(18)2)30-14-16-31(17-15-30)27(33)20-10-12-21(13-11-20)28-26(32)25-22-7-3-4-9-24(22)34-29-25/h3-13H,14-17H2,1-2H3,(H,28,32)