[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-[(4-tert-butylthiazol-2-yl)amino]-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-[(4-tert-butyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-[(4-tert-butylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H33N5OS2 MolecularWeight: 507.71382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N5OS2/c1-27(2,3)23-19-34-25(29-23)30-24(33)20-35-26(28-22-12-8-5-9-13-22)32-16-14-31(15-17-32)18-21-10-6-4-7-11-21/h4-13,19H,14-18,20H2,1-3H3,(H,29,30,33)