N-[3-(1,3-dithian-2-yl)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4)NC1=S

InChI

InChI=1S/C21H21N3O2S3/c1-2-24-19(26)16-8-7-13(12-17(16)23-21(24)27)18(25)22-15-6-3-5-14(11-15)20-28-9-4-10-29-20/h3,5-8,11-12,20H,2,4,9-10H2,1H3,(H,22,25)(H,23,27)