4-(3-hydroxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-hydroxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-hydroxyphenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3-hydroxyphenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-hydroxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-hydroxyphenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)O)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)O)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O4S2/c26-19-3-1-2-18(16-19)23-8-10-24(11-9-23)21(30)22-17-4-6-20(7-5-17)31(27,28)25-12-14-29-15-13-25/h1-7,16,26H,8-15H2,(H,22,30)