N-ethyl-3-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: N-ethyl-3-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: N-ethyl-3-[[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: N-ethyl-3-[[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: N-ethyl-3-[[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)NCC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)NCC

InChI

InChI=1S/C27H26N4O3S/c1-3-18-12-14-21(15-13-18)31-26(34)22-10-5-6-11-23(22)30-27(31)35-17-24(32)29-20-9-7-8-19(16-20)25(33)28-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,33)(H,29,32)