1-(2,5-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[4-(4-methylpiperazino)sulfonylphenyl]thiourea Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H26N4O2S2/c1-15-4-5-16(2)19(14-15)22-20(27)21-17-6-8-18(9-7-17)28(25,26)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H2,21,22,27)