(2S)-N1,N4-bis(1,3-benzodioxol-5-ylmethyl)-2-methyl-piperazine-1,4-dicarbothioamide

Systemtic Name: (2S)-N1,N4-bis(1,3-benzodioxol-5-ylmethyl)-2-methyl-piperazine-1,4-dicarbothioamide Openeye Name: (2S)-N1,N4-bis(1,3-benzodioxol-5-ylmethyl)-2-methyl-piperazine-1,4-dicarbothioamide CAS Name: (2S)-N1,N4-bis(1,3-benzodioxol-5-ylmethyl)-2-methylpiperazine-1,4-dicarbothioamide IUPAC Name: (2S)-1-N,4-N-bis(1,3-benzodioxol-5-ylmethyl)-2-methylpiperazine-1,4-dicarbothioamide Traditional Name: (2S)-2-methyl-N,N'-dipiperonyl-piperazine-1,4-dicarbothioamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H]1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O4S2/c1-15-12-26(22(32)24-10-16-2-4-18-20(8-16)30-13-28-18)6-7-27(15)23(33)25-11-17-3-5-19-21(9-17)31-14-29-19/h2-5,8-9,15H,6-7,10-14H2,1H3,(H,24,32)(H,25,33)/t15-/m0/s1