S-[2-[3-methylbutyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-methylbutyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-isopentyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-methylbutyl-[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[3-methylbutyl-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-isoamyl-amino]ethyl] ester Formula: C24H38N4O3S MolecularWeight: 462.64852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C

InChI

InChI=1S/C24H38N4O3S/c1-19(2)10-11-28(16-17-32-20(3)29)24(31)25-22(18-21-8-6-5-7-9-21)23(30)27-14-12-26(4)13-15-27/h5-9,19,22H,10-18H2,1-4H3,(H,25,31)