1-[(2,3,4,5,6-pentamethylphenyl)methylamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(2,3,4,5,6-pentamethylphenyl)methylamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[(2,3,4,5,6-pentamethylphenyl)methylamino]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[(2,3,4,5,6-pentamethylphenyl)methylamino]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(2,3,4,5,6-pentamethylphenyl)methylamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[(2,3,4,5,6-pentamethylbenzyl)amino]-3-(4-piperidinosulfonylphenyl)thiourea Formula: C24H34N4O2S2 MolecularWeight: 474.68236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CNNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CNNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)C

InChI

InChI=1S/C24H34N4O2S2/c1-16-17(2)19(4)23(20(5)18(16)3)15-25-27-24(31)26-21-9-11-22(12-10-21)32(29,30)28-13-7-6-8-14-28/h9-12,25H,6-8,13-15H2,1-5H3,(H2,26,27,31)