2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-isopropyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-isopropyl-4-keto-2-(m-anisylthio)quinazoline-7-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-18(2)28-25(31)21-12-13-23-24(15-21)29-27(34-17-20-10-7-11-22(14-20)33-3)30(26(23)32)16-19-8-5-4-6-9-19/h4-15,18H,16-17H2,1-3H3,(H,28,31)