N-(4-morpholin-4-ylsulfonylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C21H26N4O5S3 MolecularWeight: 510.64994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O5S3/c26-32(27,19-4-2-1-3-5-19)24-12-10-23(11-13-24)21(31)22-18-6-8-20(9-7-18)33(28,29)25-14-16-30-17-15-25/h1-9H,10-17H2,(H,22,31)