N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-30(2)18-22-11-7-6-10-21(22)17-28-25(32)20-12-13-23-24(16-20)29-27(34)31(26(23)33)15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,32)(H,29,34)