N-[4-[(2S)-butan-2-yl]phenyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[4-[(1S)-1-methylpropyl]phenyl]piperazine-1-carbothioamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[4-[(1S)-1-methylpropyl]phenyl]piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O2S2/c1-5-17(2)20-7-9-21(10-8-20)24-23(29)25-12-14-26(15-13-25)30(27,28)22-11-6-18(3)19(4)16-22/h6-11,16-17H,5,12-15H2,1-4H3,(H,24,29)/t17-/m0/s1