ethyl 4-[2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN4O3S/c1-2-34-25(33)18-9-13-20(14-10-18)29-23(32)16-35-26-30-22-6-4-3-5-21(22)24(31-26)28-15-17-7-11-19(27)12-8-17/h3-14H,2,15-16H2,1H3,(H,29,32)(H,28,30,31)