1-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylphenyl)-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylphenyl)-3-oxidanylidene-propyl]urea Openeye Name: [1-(m-tolyl)-3-oxo-3-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propyl]urea CAS Name: [3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-1-(3-methylphenyl)-3-oxopropyl]urea IUPAC Name: [3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-(3-methylphenyl)-3-oxopropyl]urea Traditional Name: [3-keto-1-(m-tolyl)-3-[4-(4-sec-butylphenyl)sulfonylpiperazino]propyl]urea Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C3=CC=CC(=C3)C)NC(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C3=CC=CC(=C3)C)NC(=O)N

InChI

InChI=1S/C25H34N4O4S/c1-4-19(3)20-8-10-22(11-9-20)34(32,33)29-14-12-28(13-15-29)24(30)17-23(27-25(26)31)21-7-5-6-18(2)16-21/h5-11,16,19,23H,4,12-15,17H2,1-3H3,(H3,26,27,31)