[4-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [1-benzoyl-4-(4-tert-butylphenyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(2-thienyl)methanone CAS Name: [1-benzoyl-4-(4-tert-butylphenyl)-2-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-thiophen-2-ylmethanone IUPAC Name: [1-benzoyl-4-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [1-benzoyl-4-(4-tert-butylphenyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(2-thienyl)methanone Formula: C36H39N3O3S2 MolecularWeight: 625.84316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6

InChI

InChI=1S/C36H39N3O3S2/c1-23-16-22-44-33(23)30-29(32(40)27-11-8-21-43-27)28(24-12-14-26(15-13-24)36(2,3)4)31(35(42)38-19-17-37-18-20-38)39(30)34(41)25-9-6-5-7-10-25/h5-16,21-22,28-31,37H,17-20H2,1-4H3