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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

InChI

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