N,N-diethyl-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N,N-diethyl-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N,N-diethyl-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N,N-diethyl-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N,N-diethyl-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-3-23(4-2)19(25)16-10-11-17-18(14-16)22-21(27)24(20(17)26)13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,27)