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

Systemtic Name: N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[5-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[5-[4-(3-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(=CC=C3)OC)NC(=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

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

InChI

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