1-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-3-(2-oxidanylidenethiolan-3-yl)-1-phenethyl-urea

Systemtic Name: 1-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-3-(2-oxidanylidenethiolan-3-yl)-1-phenethyl-urea Openeye Name: 1-[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-oxotetrahydrothiophen-3-yl)-1-phenethyl-urea CAS Name: 1-[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-3-(2-oxo-3-thiolanyl)-1-phenethylurea IUPAC Name: 1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-oxothiolan-3-yl)-1-phenethylurea Traditional Name: 1-[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]-3-(2-ketotetrahydrothiophen-3-yl)-1-phenethyl-urea Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)N(CCC2=CC=CC=C2)C(=O)NC3CCSC3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)N(CCC2=CC=CC=C2)C(=O)NC3CCSC3=O

InChI

InChI=1S/C21H30N4O3S/c1-16(19(26)24-13-11-23(2)12-14-24)25(10-8-17-6-4-3-5-7-17)21(28)22-18-9-15-29-20(18)27/h3-7,16,18H,8-15H2,1-2H3,(H,22,28)