S-[2-[(4-methylpiperazin-1-yl)carbonylamino]-3-phenyl-propyl] ethanethioate

Systemtic Name: S-[2-[(4-methylpiperazin-1-yl)carbonylamino]-3-phenyl-propyl] ethanethioate Openeye Name: S-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: S-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenyl-propyl] ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C

InChI

InChI=1S/C17H25N3O2S/c1-14(21)23-13-16(12-15-6-4-3-5-7-15)18-17(22)20-10-8-19(2)9-11-20/h3-7,16H,8-13H2,1-2H3,(H,18,22)