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

Systemtic Name: S-[2-[methyl-[[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-methyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[methyl-[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[methyl-[[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-methyl-amino]ethyl] ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCCN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C

InChI

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