4-(4-butan-2-ylphenyl)sulfonyl-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C22H28ClN3O3S2/c1-4-16(2)17-5-8-19(9-6-17)31(27,28)26-13-11-25(12-14-26)22(30)24-20-15-18(23)7-10-21(20)29-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,30)