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

Systemtic Name: S-[3-azanyl-3-methyl-2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]butyl] ethanethioate Openeye Name: S-[3-amino-2-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]-3-methyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[3-amino-3-methyl-2-[[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]butyl] ester IUPAC Name: S-[3-amino-3-methyl-2-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]butyl] ethanethioate Traditional Name: ethanethioic acid S-[3-amino-2-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]-3-methyl-butyl] ester Formula: C30H43N5O3S MolecularWeight: 553.75912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(C)(C)N)N(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)SCC(C(C)(C)N)N(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C

InChI

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