1-(3,4-dimethylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C

InChI

InChI=1S/C21H27N3O3S2/c1-15-7-8-17(13-16(15)2)22-21(28)23-19-14-18(9-10-20(19)27-3)29(25,26)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,22,23,28)