4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C26H34N4O4S2 MolecularWeight: 530.70256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H34N4O4S2/c1-19-4-3-5-20(2)30(19)36(31,32)23-9-7-22(8-10-23)27-26(35)29-14-12-28(13-15-29)17-21-6-11-24-25(16-21)34-18-33-24/h6-11,16,19-20H,3-5,12-15,17-18H2,1-2H3,(H,27,35)