1-(4-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(4-methylpiperazino)sulfonylphenyl]thiourea Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H30N4O2S2/c1-3-4-5-18-6-8-19(9-7-18)23-22(29)24-20-10-12-21(13-11-20)30(27,28)26-16-14-25(2)15-17-26/h6-13H,3-5,14-17H2,1-2H3,(H2,23,24,29)