3-[2-(4-ethylpiperazin-1-yl)phenyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea

Systemtic Name: 3-[2-(4-ethylpiperazin-1-yl)phenyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea Openeye Name: 3-[2-(4-ethylpiperazin-1-yl)phenyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea CAS Name: 3-[2-(4-ethyl-1-piperazinyl)phenyl]-1-methyl-1-[[4-(methylthio)phenyl]methyl]urea IUPAC Name: 3-[2-(4-ethylpiperazin-1-yl)phenyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea Traditional Name: 3-[2-(4-ethylpiperazino)phenyl]-1-methyl-1-[4-(methylthio)benzyl]urea Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N4OS/c1-4-25-13-15-26(16-14-25)21-8-6-5-7-20(21)23-22(27)24(2)17-18-9-11-19(28-3)12-10-18/h5-12H,4,13-17H2,1-3H3,(H,23,27)