N-(4-phenoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-phenoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c27-31(28,22-9-5-2-6-10-22)26-17-15-25(16-18-26)23(30)24-19-11-13-21(14-12-19)29-20-7-3-1-4-8-20/h1-14H,15-18H2,(H,24,30)