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

Systemtic Name: N-(4-methylpentyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-isohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-methylpentyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-methylpentyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-isohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-4-10-21-17(23)14-8-7-13(11-15(14)20-18(21)24)16(22)19-9-5-6-12(2)3/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3,(H,19,22)(H,20,24)