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

Systemtic Name: [4-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclopropyl-methanone Openeye Name: [4-(4-tert-butylphenyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclopropyl-methanone CAS Name: [4-(4-tert-butylphenyl)-2-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-cyclopropylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone Traditional Name: [4-(4-tert-butylphenyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-cyclopropyl-methanone Formula: C33H39N3O3S2 MolecularWeight: 589.81106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CC3)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)C3CC3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6

InChI

InChI=1S/C33H39N3O3S2/c1-20-13-19-41-30(20)27-26(29(37)24-6-5-18-40-24)25(21-9-11-23(12-10-21)33(2,3)4)28(36(27)31(38)22-7-8-22)32(39)35-16-14-34-15-17-35/h5-6,9-13,18-19,22,25-28,34H,7-8,14-17H2,1-4H3