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

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethanoyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[2-[(4-chlorophenyl)thio]acetyl]-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN4O3S/c27-18-11-13-20(14-12-18)35-17-23(32)31(19-7-2-1-3-8-19)16-6-15-28-26(34)24-29-22-10-5-4-9-21(22)25(33)30-24/h4-5,9-14,19H,1-3,6-8,15-17H2,(H,28,34)(H,29,30,33)