N-[3-[2-(4-chlorophenyl)sulfanylethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[2-[(4-chlorophenyl)thio]acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3S/c21-13-6-8-14(9-7-13)29-12-17(26)22-10-3-11-23-20(28)18-24-16-5-2-1-4-15(16)19(27)25-18/h1-2,4-9H,3,10-12H2,(H,22,26)(H,23,28)(H,24,25,27)