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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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