4-(2,5-dimethylphenyl)sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S2/c1-4-7-17-16(22)18-8-10-19(11-9-18)23(20,21)15-12-13(2)5-6-14(15)3/h4-6,12H,1,7-11H2,2-3H3,(H,17,22)