N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: 4-allyl-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-prop-2-enylpiperazine-1-carbothioamide Traditional Name: 4-allyl-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C21H32N4O2S2 MolecularWeight: 436.63438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC=C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC=C)C

InChI

InChI=1S/C21H32N4O2S2/c1-4-12-23-13-15-24(16-14-23)21(28)22-19-8-10-20(11-9-19)29(26,27)25-17(2)6-5-7-18(25)3/h4,8-11,17-18H,1,5-7,12-16H2,2-3H3,(H,22,28)