N-[3-(dimethylamino)propyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-[3-(dimethylamino)propyl]piperazine-1-carbothioamide CAS Name: N-[3-(dimethylamino)propyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-[3-(dimethylamino)propyl]piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-[3-(dimethylamino)propyl]piperazine-1-carbothioamide Formula: C17H28N4O2S2 MolecularWeight: 384.55982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CN(C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H28N4O2S2/c1-19(2)10-6-9-18-17(24)20-11-13-21(14-12-20)25(22,23)15-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H,18,24)