4-phenethyl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-phenethyl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-phenethyl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-phenethyl-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-phenethyl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-phenethyl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3S/c1-17-15-19(3)21(16-18(17)2)23-22(26)25-13-11-24(12-14-25)10-9-20-7-5-4-6-8-20/h4-8,15-16H,9-14H2,1-3H3,(H,23,26)