7-chloranyl-3-[3-[[(1S)-1-(4-methylphenyl)propyl]amino]-3-oxidanylidene-propyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-chloranyl-3-[3-[[(1S)-1-(4-methylphenyl)propyl]amino]-3-oxidanylidene-propyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-chloro-3-[3-oxo-3-[[(1S)-1-(p-tolyl)propyl]amino]propyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-chloro-3-[3-[[(1S)-1-(4-methylphenyl)propyl]amino]-3-oxopropyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-chloro-3-[3-[[(1S)-1-(4-methylphenyl)propyl]amino]-3-oxopropyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-chloro-3-[3-keto-3-[[(1S)-1-(p-tolyl)propyl]amino]propyl]-2-thioxo-quinazolin-4-olate Formula: C21H21ClN3O2S- MolecularWeight: 414.92834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CCN2C(=C3C=CC(=CC3=NC2=S)Cl)[O-]

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)CCN2C(=C3C=CC(=CC3=NC2=S)Cl)[O-]

InChI

InChI=1S/C21H22ClN3O2S/c1-3-17(14-6-4-13(2)5-7-14)23-19(26)10-11-25-20(27)16-9-8-15(22)12-18(16)24-21(25)28/h4-9,12,17,27H,3,10-11H2,1-2H3,(H,23,26)/p-1/t17-/m0/s1