N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(6-chlorothiochroman-4-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(6-chlorothiochroman-4-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)NC1=S

InChI

InChI=1S/C21H18ClN3O2S2/c1-2-8-25-20(27)14-5-3-12(10-17(14)24-21(25)28)19(26)23-16-7-9-29-18-6-4-13(22)11-15(16)18/h2-6,10-11,16H,1,7-9H2,(H,23,26)(H,24,28)