1-(4-methylphenyl)-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiourea Openeye Name: 1-(p-tolyl)-3-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiourea CAS Name: 1-(4-methylphenyl)-3-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiourea Traditional Name: 1-(p-tolyl)-3-[[2-(4-tosylpiperazino)acetyl]amino]thiourea Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N5O3S2/c1-16-3-7-18(8-4-16)22-21(30)24-23-20(27)15-25-11-13-26(14-12-25)31(28,29)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,23,27)(H2,22,24,30)