N-nonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-nonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-nonyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-nonyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-nonyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-nonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

Isomeric SMILES

CCCCCCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

InChI

InChI=1S/C21H29N3O2S/c1-3-5-6-7-8-9-10-13-22-19(25)16-11-12-17-18(15-16)23-21(27)24(14-4-2)20(17)26/h4,11-12,15H,2-3,5-10,13-14H2,1H3,(H,22,25)(H,23,27)