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

Systemtic Name: (2R)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2R)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-N-(2-thienylmethyl)propanamide CAS Name: (2R)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2R)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2R)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-(2-thenyl)propionamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C21H19N3O2S2/c1-13(19(25)22-12-16-8-5-9-27-16)28-21-23-18-11-15-7-4-3-6-14(15)10-17(18)20(26)24(21)2/h3-11,13H,12H2,1-2H3,(H,22,25)/t13-/m1/s1