N-[2-[2-(4-chlorophenyl)sulfanylethanoylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[2-[2-(4-chlorophenyl)sulfanylethanoylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[2-[[2-[(4-chlorophenyl)thio]acetyl]amino]ethyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCNC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCNC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O3S/c20-12-5-7-13(8-6-12)28-11-16(25)21-9-10-22-19(27)17-23-15-4-2-1-3-14(15)18(26)24-17/h1-8H,9-11H2,(H,21,25)(H,22,27)(H,23,24,26)