N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-methoxyphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-methoxyphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H23N3O3S2/c1-15-3-9-18(10-4-15)27(23,24)22-13-11-21(12-14-22)19(26)20-16-5-7-17(25-2)8-6-16/h3-10H,11-14H2,1-2H3,(H,20,26)