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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-(2-naphthalen-2-ylethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-[2-(2-naphthyl)ethyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-[2-(2-naphthalenyl)ethyl]amino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl-(2-naphthalen-2-ylethyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl-[2-(2-naphthyl)ethyl]amino]ethyl] ester Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC3=CC=CC=C3C=C2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC3=CC=CC=C3C=C2)CCSC(=O)C

InChI

InChI=1S/C25H34N4O3S/c1-19(24(31)28-14-12-27(3)13-15-28)26-25(32)29(16-17-33-20(2)30)11-10-21-8-9-22-6-4-5-7-23(22)18-21/h4-9,18-19H,10-17H2,1-3H3,(H,26,32)