(2R)-N-cycloheptyl-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cycloheptyl-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cycloheptyl-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H29N3O3S/c1-15(19(25)22-16-9-5-3-4-6-10-16)28-21-23-18-12-8-7-11-17(18)20(26)24(21)13-14-27-2/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,22,25)/t15-/m1/s1