N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-methylsulfanyl-ethyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-methylsulfanyl-ethyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-2-methylsulfanyl-ethyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-(methylthio)ethyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylsulfanylethyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)-2-(methylthio)ethyl]-4-methyl-benzamide Formula: C29H31ClN4O2S MolecularWeight: 535.10004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(CSC)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(CSC)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C29H31ClN4O2S/c1-20-9-11-22(12-10-20)28(35)33(16-6-15-31)26(19-37-2)27-32-25-17-23(30)13-14-24(25)29(36)34(27)18-21-7-4-3-5-8-21/h3-5,7-14,17,26H,6,15-16,18-19,31H2,1-2H3