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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-26-18-7-9-19(10-8-18)28(24,25)23-15-13-22(14-16-23)20(27)21-12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,21,27)