N-(3-chloranyl-2-methyl-phenyl)-2-[2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]ethanamide Openeye Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxy-phenoxy]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[2-methoxy-4-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxyphenoxy]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxy-phenoxy]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C28H30ClN3O3S MolecularWeight: 524.0741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H30ClN3O3S/c1-20-23(29)9-6-10-24(20)30-27(33)19-35-25-12-11-22(17-26(25)34-2)28(36)32-15-13-31(14-16-32)18-21-7-4-3-5-8-21/h3-12,17H,13-16,18-19H2,1-2H3,(H,30,33)