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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] N-propan-2-ylcarbamothioate Openeye Name: S-[2-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] N-isopropylcarbamothioate CAS Name: N-propan-2-ylcarbamothioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] N-propan-2-ylcarbamothioate Traditional Name: N-isopropylthiocarbamic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C23H37N5O3S MolecularWeight: 463.63658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O3S/c1-18(2)24-23(31)32-17-16-28(11-10-20-8-6-5-7-9-20)22(30)25-19(3)21(29)27-14-12-26(4)13-15-27/h5-9,18-19H,10-17H2,1-4H3,(H,24,31)(H,25,30)