4-tert-butyl-N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-tert-butyl-N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-tert-butyl-N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-tert-butyl-N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]benzamide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3OS/c1-22(2,3)17-9-7-16(8-10-17)20(27)24-21(28)26-13-11-25(12-14-26)19-6-4-5-18(23)15-19/h4-10,15H,11-14H2,1-3H3,(H,24,27,28)