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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCC(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCC(=O)N2CCN(CC2)C

InChI

InChI=1S/C20H30N4O3S/c1-17(25)28-15-14-24(9-8-18-6-4-3-5-7-18)20(27)21-16-19(26)23-12-10-22(2)11-13-23/h3-7H,8-16H2,1-2H3,(H,21,27)