S-[2-(dimethylaminomethyl)-5-(4-methylpiperazin-1-yl)-5-oxidanylidene-3-(phenethylcarbamoylamino)-3-phenyl-pentyl] ethanethioate

Systemtic Name: S-[2-(dimethylaminomethyl)-5-(4-methylpiperazin-1-yl)-5-oxidanylidene-3-(phenethylcarbamoylamino)-3-phenyl-pentyl] ethanethioate Openeye Name: S-[2-(dimethylaminomethyl)-5-(4-methylpiperazin-1-yl)-5-oxo-3-(phenethylcarbamoylamino)-3-phenyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[2-(dimethylaminomethyl)-5-(4-methyl-1-piperazinyl)-5-oxo-3-[[oxo-(phenethylamino)methyl]amino]-3-phenylpentyl] ester IUPAC Name: S-[2-(dimethylaminomethyl)-5-(4-methylpiperazin-1-yl)-5-oxo-3-(phenethylcarbamoylamino)-3-phenylpentyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(dimethylaminomethyl)-5-keto-5-(4-methylpiperazino)-3-(phenethylcarbamoylamino)-3-phenyl-pentyl] ester Formula: C30H43N5O3S MolecularWeight: 553.75912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CN(C)C)C(CC(=O)N1CCN(CC1)C)(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CN(C)C)C(CC(=O)N1CCN(CC1)C)(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C30H43N5O3S/c1-24(36)39-23-27(22-33(2)3)30(26-13-9-6-10-14-26,21-28(37)35-19-17-34(4)18-20-35)32-29(38)31-16-15-25-11-7-5-8-12-25/h5-14,27H,15-23H2,1-4H3,(H2,31,32,38)