N-phenethyl-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-phenethyl-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isopropylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: N-phenethyl-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-phenethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-p-cumenylsulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S2/c1-18(2)20-8-10-21(11-9-20)29(26,27)25-16-14-24(15-17-25)22(28)23-13-12-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,23,28)