2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylheptyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-[(1S)-1-methylheptyl]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

InChI=1S/C23H29N3O2S/c1-4-5-6-7-10-16(2)24-21(27)15-29-23-25-20-14-18-12-9-8-11-17(18)13-19(20)22(28)26(23)3/h8-9,11-14,16H,4-7,10,15H2,1-3H3,(H,24,27)/t16-/m0/s1