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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-(1-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[1-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-(1-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-(1-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[1-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C18H17N3O2S2/c1-3-8-21-17(23)13-7-6-12(10-14(13)20-18(21)24)16(22)19-11(2)15-5-4-9-25-15/h3-7,9-11H,1,8H2,2H3,(H,19,22)(H,20,24)