1-(4-butylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O2S2/c1-2-3-6-17-7-9-18(10-8-17)22-21(27)23-19-11-13-20(14-12-19)28(25,26)24-15-4-5-16-24/h7-14H,2-6,15-16H2,1H3,(H2,22,23,27)