N-(3-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-(m-tolyl)acetamide Formula: C29H31N4O2S+ MolecularWeight: 499.64704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C29H30N4O2S/c1-22-8-7-11-24(18-22)33(19-23-9-3-2-4-10-23)28(34)21-36-29-25-12-5-6-13-26(25)30-27(31-29)20-32-14-16-35-17-15-32/h2-13,18H,14-17,19-21H2,1H3/p+1