N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S2/c22-19-7-6-18(31(27,28)26-12-14-29-15-13-26)16-20(19)23-21(30)25-10-8-24(9-11-25)17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,23,30)