N,N-diethyl-3-(3-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N,N-diethyl-3-(3-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N,N-diethyl-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N,N-diethyl-3-(3-methoxyphenyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N,N-diethyl-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N,N-diethyl-4-keto-3-(3-methoxyphenyl)quinazoline-7-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-4-29(5-2)25(31)20-14-15-23-24(16-20)28-27(34-18-19-10-7-6-8-11-19)30(26(23)32)21-12-9-13-22(17-21)33-3/h6-17H,4-5,18H2,1-3H3