N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-o-phenetyl-piperazine-1-carbothioamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4S2/c1-3-27-19-7-5-4-6-18(19)21-20(28)22-12-14-23(15-13-22)29(24,25)17-10-8-16(26-2)9-11-17/h4-11H,3,12-15H2,1-2H3,(H,21,28)