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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: N-isopropyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylthio]-4-oxo-3-phenethyl-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-2-(m-anisylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-19(2)29-26(32)22-12-13-24-25(17-22)30-28(35-18-21-10-7-11-23(16-21)34-3)31(27(24)33)15-14-20-8-5-4-6-9-20/h4-13,16-17,19H,14-15,18H2,1-3H3,(H,29,32)