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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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