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

Systemtic Name: 4-(1-phenylethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1-phenylethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1-phenylethyl)-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1-phenylethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1-phenylethyl)-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)C(C)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3S/c1-16-14-18(3)21(15-17(16)2)23-22(26)25-12-10-24(11-13-25)19(4)20-8-6-5-7-9-20/h5-9,14-15,19H,10-13H2,1-4H3,(H,23,26)