4-oxidanylidene-3-pentyl-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-pentyl-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H23N3O2S/c1-2-3-7-12-24-20(26)17-11-10-16(13-18(17)23-21(24)27)19(25)22-14-15-8-5-4-6-9-15/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,22,25)(H,23,27)