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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S2/c1-23-13-15-24(16-14-23)28(25,26)19-9-7-18(8-10-19)22-20(27)21-12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H2,21,22,27)