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

Systemtic Name: 4-tert-butyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-4-tert-butylbenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-4-tert-butyl-benzamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-23(2,3)20-11-9-19(10-12-20)21(27)24-22(28)26-15-13-25(14-16-26)17-18-7-5-4-6-8-18/h4-12H,13-17H2,1-3H3,(H,24,27,28)