tert-butyl N-[5-(4-methylpiperazin-1-yl)-5-oxidanylidene-1-phenylsulfanyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-(4-methylpiperazin-1-yl)-5-oxidanylidene-1-phenylsulfanyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[4-(4-methylpiperazin-1-yl)-4-oxo-1-(phenylsulfanylmethyl)butyl]carbamate CAS Name: N-[5-(4-methyl-1-piperazinyl)-5-oxo-1-(phenylthio)pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(4-methylpiperazin-1-yl)-5-oxo-1-phenylsulfanylpentan-2-yl]carbamate Traditional Name: N-[4-keto-4-(4-methylpiperazino)-1-[(phenylthio)methyl]butyl]carbamic acid tert-butyl ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)N1CCN(CC1)C)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)N1CCN(CC1)C)CSC2=CC=CC=C2

InChI

InChI=1S/C21H33N3O3S/c1-21(2,3)27-20(26)22-17(16-28-18-8-6-5-7-9-18)10-11-19(25)24-14-12-23(4)13-15-24/h5-9,17H,10-16H2,1-4H3,(H,22,26)