1-naphthalen-1-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-naphthalen-1-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1-naphthyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(1-naphthalenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-naphthalen-1-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(1-naphthyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2S2/c25-28(26,24-14-3-4-15-24)18-12-10-17(11-13-18)22-21(27)23-20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,3-4,14-15H2,(H2,22,23,27)