(2R,3S)-N-methyl-1-(4-methylphenyl)-6-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-thiophen-2-yl-piperidine-3-carboxamide

Systemtic Name: (2R,3S)-N-methyl-1-(4-methylphenyl)-6-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-thiophen-2-yl-piperidine-3-carboxamide Openeye Name: (2R,3S)-N-methyl-6-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxamide CAS Name: (2R,3S)-N-methyl-1-(4-methylphenyl)-6-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiophen-2-yl-3-piperidinecarboxamide IUPAC Name: (2R,3S)-N-methyl-1-(4-methylphenyl)-6-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiophen-2-ylpiperidine-3-carboxamide Traditional Name: (2R,3S)-6-keto-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-1-(p-tolyl)-2-(2-thienyl)nipecotamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CS5

InChI

InChI=1S/C27H26N4O3S/c1-17-9-11-18(12-10-17)31-24(32)14-13-20(25(31)22-8-5-15-35-22)27(34)30(2)16-23-28-21-7-4-3-6-19(21)26(33)29-23/h3-12,15,20,25H,13-14,16H2,1-2H3,(H,28,29,33)/t20-,25+/m0/s1