(3S)-3-acetamido-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-3-thiophen-2-yl-propanamide

Systemtic Name: (3S)-3-acetamido-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-3-thiophen-2-yl-propanamide Openeye Name: (3S)-3-acetamido-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-3-(2-thienyl)propanamide CAS Name: (3S)-3-acetamido-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide IUPAC Name: (3S)-3-acetamido-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide Traditional Name: (3S)-3-acetamido-N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-N-ethyl-3-(2-thienyl)propionamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CC(C3=CC=CS3)NC(=O)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C[C@@H](C3=CC=CS3)NC(=O)C

InChI

InChI=1S/C20H21ClN4O3S/c1-3-25(19(27)10-16(22-12(2)26)17-5-4-8-29-17)11-18-23-15-9-13(21)6-7-14(15)20(28)24-18/h4-9,16H,3,10-11H2,1-2H3,(H,22,26)(H,23,24,28)/t16-/m0/s1