3-(3-methoxypropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

InChI

InChI=1S/C21H20N4O3S2/c1-12-4-7-15-17(10-12)30-20(22-15)24-18(26)13-5-6-14-16(11-13)23-21(29)25(19(14)27)8-3-9-28-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,29)(H,22,24,26)