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

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-[2-[(4-chlorophenyl)thio]acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H25ClN4O3S MolecularWeight: 521.0304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN4O3S/c28-20-11-13-21(14-12-20)36-18-24(33)32(17-19-7-2-1-3-8-19)16-6-15-29-27(35)25-30-23-10-5-4-9-22(23)26(34)31-25/h1-5,7-14H,6,15-18H2,(H,29,35)(H,30,31,34)