N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-hexanamide Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N4O5S/c31-24(27-16-18-5-8-22-23(14-18)35-17-34-22)4-2-1-3-9-30-25(32)20-15-19(29-10-12-33-13-11-29)6-7-21(20)28-26(30)36/h5-8,14-15H,1-4,9-13,16-17H2,(H,27,31)(H,28,36)