N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[5-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3S/c1-18-7-8-19(17-23(18)28-26(32)25-22-5-3-4-6-24(22)35-29-25)27(33)31-15-13-30(14-16-31)20-9-11-21(34-2)12-10-20/h3-12,17H,13-16H2,1-2H3,(H,28,32)