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

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethanoyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[2-[(4-chlorophenyl)thio]acetyl]-methyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-26(18(27)13-30-15-9-7-14(22)8-10-15)12-4-11-23-21(29)19-24-17-6-3-2-5-16(17)20(28)25-19/h2-3,5-10H,4,11-13H2,1H3,(H,23,29)(H,24,25,28)