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

Systemtic Name: 1-(4-butylphenyl)-3-(4-pyrrolidin-1-ylcarbonylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-2-3-6-17-7-11-19(12-8-17)23-22(27)24-20-13-9-18(10-14-20)21(26)25-15-4-5-16-25/h7-14H,2-6,15-16H2,1H3,(H2,23,24,27)