N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-[(3-methyl-1-piperidyl)methyl]thiazol-2-yl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)methyl]-2-thiazolyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-[(3-methylpiperidino)methyl]thiazol-2-yl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C22H25N5O2S2/c1-3-8-27-20(29)17-7-6-15(10-18(17)24-22(27)30)19(28)25-21-23-16(13-31-21)12-26-9-4-5-14(2)11-26/h3,6-7,10,13-14H,1,4-5,8-9,11-12H2,2H3,(H,24,30)(H,23,25,28)