3-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H21N5O3S/c28-15-17-8-12-21(13-9-17)32-26(35)22-6-1-2-7-23(22)31-27(32)36-16-24(33)29-20-5-3-4-18(14-20)25(34)30-19-10-11-19/h1-9,12-14,19H,10-11,16H2,(H,29,33)(H,30,34)