1-(2-cyanopropyl)-1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(2-cyanopropyl)-1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(2-cyanopropyl)-1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-(2-cyanopropyl)-1-methyl-3-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(2-cyanopropyl)-1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-(2-cyanopropyl)-1-methyl-3-[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]urea Formula: C17H27N5OS MolecularWeight: 349.49418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)NCC(C1=CC=CS1)N2CCN(CC2)C)C#N

Isomeric SMILES

CC(CN(C)C(=O)NCC(C1=CC=CS1)N2CCN(CC2)C)C#N

InChI

InChI=1S/C17H27N5OS/c1-14(11-18)13-21(3)17(23)19-12-15(16-5-4-10-24-16)22-8-6-20(2)7-9-22/h4-5,10,14-15H,6-9,12-13H2,1-3H3,(H,19,23)