N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)NC1=S

InChI

InChI=1S/C28H24N4O2S/c1-2-14-32-27(34)21-13-12-19(15-25(21)31-28(32)35)26(33)30-16-22(18-8-4-3-5-9-18)23-17-29-24-11-7-6-10-20(23)24/h2-13,15,17,22,29H,1,14,16H2,(H,30,33)(H,31,35)