1-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-(4-piperidinosulfonylphenyl)thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-15-7-6-8-19(16(15)2)22-20(26)21-17-9-11-18(12-10-17)27(24,25)23-13-4-3-5-14-23/h6-12H,3-5,13-14H2,1-2H3,(H2,21,22,26)