(2R)-N-cyclopentyl-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-cyclopentyl-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-cyclopentyl-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-cyclopentyl-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C21H23N3O2S/c1-13(19(25)22-16-9-5-6-10-16)27-21-23-18-12-15-8-4-3-7-14(15)11-17(18)20(26)24(21)2/h3-4,7-8,11-13,16H,5-6,9-10H2,1-2H3,(H,22,25)/t13-/m1/s1