N-[3-(dimethylamino)propyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylamino)propyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(dimethylamino)propyl]-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(dimethylamino)propyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H30N4O2S2 MolecularWeight: 398.5864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCN(C)C

InChI

InChI=1S/C18H30N4O2S2/c1-15-6-7-16(2)17(14-15)26(23,24)22-12-10-21(11-13-22)18(25)19-8-5-9-20(3)4/h6-7,14H,5,8-13H2,1-4H3,(H,19,25)