N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(1-norbornan-2-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[1-(2-norbornyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC2CCC1C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC(C1CC2CCC1C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C21H25N3O2S/c1-3-8-24-20(26)16-7-6-15(11-18(16)23-21(24)27)19(25)22-12(2)17-10-13-4-5-14(17)9-13/h3,6-7,11-14,17H,1,4-5,8-10H2,2H3,(H,22,25)(H,23,27)