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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(azepan-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(azepan-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCCCCC3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCCCCC3)NC1=S

InChI

InChI=1S/C20H26N4O2S/c1-2-10-24-19(26)16-8-7-15(14-17(16)22-20(24)27)18(25)21-9-13-23-11-5-3-4-6-12-23/h2,7-8,14H,1,3-6,9-13H2,(H,21,25)(H,22,27)