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

Systemtic Name: N-(2-benzamidoethyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2-benzamidoethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-benzamidoethyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzamidoethyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2-benzamidoethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=C3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H20N4O3S/c1-2-12-25-20(28)16-9-8-15(13-17(16)24-21(25)29)19(27)23-11-10-22-18(26)14-6-4-3-5-7-14/h2-9,13H,1,10-12H2,(H,22,26)(H,23,27)(H,24,29)