1-(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)-3-(2-propan-2-ylphenyl)thiourea

Systemtic Name: 1-(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)-3-(2-propan-2-ylphenyl)thiourea Openeye Name: 1-(2-isopropylphenyl)-3-[2-methoxy-4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]-3-(2-propan-2-ylphenyl)thiourea IUPAC Name: 1-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-3-(2-propan-2-ylphenyl)thiourea Traditional Name: 1-(2-methoxy-4-piperidinosulfonyl-phenyl)-3-o-cumenyl-thiourea Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H29N3O3S2/c1-16(2)18-9-5-6-10-19(18)23-22(29)24-20-12-11-17(15-21(20)28-3)30(26,27)25-13-7-4-8-14-25/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H2,23,24,29)