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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic 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] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4O3S/c1-21(24(31)29-17-15-28(2)16-18-29)27-26(33)30(14-13-22-9-5-3-6-10-22)19-20-34-25(32)23-11-7-4-8-12-23/h3-12,21H,13-20H2,1-2H3,(H,27,33)