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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-(phenylmethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[benzyl-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-(phenylmethyl)amino]ethyl] ester IUPAC Name: S-[2-[benzyl-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl]amino]ethyl] ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCSC(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCSC(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H30N4O3S/c1-16(19(26)23-11-9-22(3)10-12-23)21-20(27)24(13-14-28-17(2)25)15-18-7-5-4-6-8-18/h4-8,16H,9-15H2,1-3H3,(H,21,27)