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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-14(2)10-11-22-19(25)16-8-9-17-18(12-16)23-21(27)24(20(17)26)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,27)