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

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-ethylsulfanyl-ethyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-2-ethylsulfanyl-ethyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-(ethylthio)ethyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-ethylsulfanylethyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)-2-(ethylthio)ethyl]-4-methyl-benzamide Formula: C30H33ClN4O2S MolecularWeight: 549.12662

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCSCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H33ClN4O2S/c1-3-38-20-27(34(17-7-16-32)29(36)23-12-10-21(2)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,27H,3,7,16-17,19-20,32H2,1-2H3