tert-butyl N-[[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-yl-carbamate

Systemtic Name: tert-butyl N-[[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-yl-carbamate Openeye Name: tert-butyl N-isopropyl-N-[[1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-3-piperidyl]methyl]carbamate CAS Name: N-[[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-3-piperidinyl]methyl]-N-propan-2-ylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate Traditional Name: N-isopropyl-N-[[1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-3-piperidyl]methyl]carbamic acid tert-butyl ester Formula: C23H35N5O2S MolecularWeight: 445.6213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1CCCN(C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC1CCCN(C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N5O2S/c1-17(2)27(22(29)30-23(3,4)5)15-18-10-9-13-26(14-18)16-28-21(31)24-20(25-28)19-11-7-6-8-12-19/h6-8,11-12,17-18H,9-10,13-16H2,1-5H3,(H,24,25,31)