N-[1-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)-4-piperidyl]thiophene-2-sulfonamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)NS(=O)(=O)C4=CC=CS4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)NS(=O)(=O)C4=CC=CS4)NC1=S

InChI

InChI=1S/C21H22N4O4S3/c1-2-9-25-20(27)16-6-5-14(13-17(16)22-21(25)30)19(26)24-10-7-15(8-11-24)23-32(28,29)18-4-3-12-31-18/h2-6,12-13,15,23H,1,7-11H2,(H,22,30)