N-(2,6-diethylphenyl)-4-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: 4-allyl-N-(2,6-diethylphenyl)piperazine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-4-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-4-prop-2-enylpiperazine-1-carbothioamide Traditional Name: 4-allyl-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)CC=C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)CC=C

InChI

InChI=1S/C18H27N3S/c1-4-10-20-11-13-21(14-12-20)18(22)19-17-15(5-2)8-7-9-16(17)6-3/h4,7-9H,1,5-6,10-14H2,2-3H3,(H,19,22)