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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(4-methylpiperazin-1-yl)-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-2-(4-methylpiperazino)-1-(2-naphthylmethyl)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C31H38N4O3S/c1-24(36)39-21-20-35(15-14-25-8-4-3-5-9-25)31(38)32-29(30(37)34-18-16-33(2)17-19-34)23-26-12-13-27-10-6-7-11-28(27)22-26/h3-13,22,29H,14-21,23H2,1-2H3,(H,32,38)