1-(4-butan-2-ylphenyl)-3-(4-pyrrolidin-1-ylcarbonylphenyl)thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(4-pyrrolidin-1-ylcarbonylphenyl)thiourea Openeye Name: 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea Traditional Name: 1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-3-16(2)17-6-10-19(11-7-17)23-22(27)24-20-12-8-18(9-13-20)21(26)25-14-4-5-15-25/h6-13,16H,3-5,14-15H2,1-2H3,(H2,23,24,27)