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

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C22H27ClN4O3S2 MolecularWeight: 495.05778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27ClN4O3S2/c1-17-2-3-18(23)16-21(17)25-8-10-26(11-9-25)22(31)24-19-4-6-20(7-5-19)32(28,29)27-12-14-30-15-13-27/h2-7,16H,8-15H2,1H3,(H,24,31)