N-[(4-fluorophenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-fluorobenzyl)-3-[2-(1H-indol-3-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H21FN4O2S MolecularWeight: 472.533943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)NC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)NC3=S

InChI

InChI=1S/C26H21FN4O2S/c27-19-8-5-16(6-9-19)14-29-24(32)17-7-10-21-23(13-17)30-26(34)31(25(21)33)12-11-18-15-28-22-4-2-1-3-20(18)22/h1-10,13,15,28H,11-12,14H2,(H,29,32)(H,30,34)