(phenylmethyl) N-[2-oxidanylidene-1-propan-2-ylsulfanyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-1-propan-2-ylsulfanyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]ethyl]carbamate Openeye Name: benzyl N-[1-isopropylsulfanyl-2-oxo-2-[(1-pyrimidin-2-yl-3-piperidyl)methylamino]ethyl]carbamate CAS Name: N-[2-oxo-1-(propan-2-ylthio)-2-[[1-(2-pyrimidinyl)-3-piperidinyl]methylamino]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-oxo-1-propan-2-ylsulfanyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]ethyl]carbamate Traditional Name: N-[1-(isopropylthio)-2-keto-2-[[1-(2-pyrimidyl)-3-piperidyl]methylamino]ethyl]carbamic acid benzyl ester Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)NCC1CCCN(C1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)NCC1CCCN(C1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3S/c1-17(2)32-21(27-23(30)31-16-18-8-4-3-5-9-18)20(29)26-14-19-10-6-13-28(15-19)22-24-11-7-12-25-22/h3-5,7-9,11-12,17,19,21H,6,10,13-16H2,1-2H3,(H,26,29)(H,27,30)