N-(2-methylprop-2-enyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(4-propylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-(4-propylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C

InChI

InChI=1S/C18H27N3O2S2/c1-4-5-16-6-8-17(9-7-16)25(22,23)21-12-10-20(11-13-21)18(24)19-14-15(2)3/h6-9H,2,4-5,10-14H2,1,3H3,(H,19,24)