N-(3-methyl-1-phenyl-butyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3-methyl-1-phenyl-butyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methyl-1-phenylbutyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(3-methyl-1-phenyl-butyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C23H25N3O2S/c1-4-12-26-22(28)18-11-10-17(14-20(18)25-23(26)29)21(27)24-19(13-15(2)3)16-8-6-5-7-9-16/h4-11,14-15,19H,1,12-13H2,2-3H3,(H,24,27)(H,25,29)