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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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