(2S)-N-(1-adamantylcarbamoyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

InChI

InChI=1S/C27H34N4O3S/c1-16(23(32)29-25(34)30-27-13-17-10-18(14-27)12-19(11-17)15-27)35-26-28-22-9-5-4-8-21(22)24(33)31(26)20-6-2-3-7-20/h4-5,8-9,16-20H,2-3,6-7,10-15H2,1H3,(H2,29,30,32,34)/t16-,17?,18?,19?,27?/m0/s1