N-(3-methylphenyl)-4-[2-pyrrolidin-1-ylcarbonyl-4-(thiophen-2-ylcarbonylamino)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[2-pyrrolidin-1-ylcarbonyl-4-(thiophen-2-ylcarbonylamino)phenyl]piperazine-1-carboxamide Openeye Name: N-(m-tolyl)-4-[2-(pyrrolidine-1-carbonyl)-4-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[2-[oxo(1-pyrrolidinyl)methyl]-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methylphenyl)-4-[2-(pyrrolidine-1-carbonyl)-4-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide Traditional Name: N-(m-tolyl)-4-[2-(pyrrolidine-1-carbonyl)-4-(2-thenoylamino)phenyl]piperazine-1-carboxamide Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)N5CCCC5

InChI

InChI=1S/C28H31N5O3S/c1-20-6-4-7-21(18-20)30-28(36)33-15-13-31(14-16-33)24-10-9-22(29-26(34)25-8-5-17-37-25)19-23(24)27(35)32-11-2-3-12-32/h4-10,17-19H,2-3,11-16H2,1H3,(H,29,34)(H,30,36)