S-[2-[[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[3-(4-methyl-1-piperazinyl)-3-oxopropyl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[3-keto-3-(4-methylpiperazino)propyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-18(26)29-17-16-25(11-9-19-6-4-3-5-7-19)21(28)22-10-8-20(27)24-14-12-23(2)13-15-24/h3-7H,8-17H2,1-2H3,(H,22,28)