3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)-1-benzopyran-2-one IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one Traditional Name: 7-(diethylamino)-3-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O4S/c1-3-27(4-2)16-7-6-15-10-17(22(28)31-19(15)11-16)21-25-26-23(32-21)24-12-14-5-8-18-20(9-14)30-13-29-18/h5-11H,3-4,12-13H2,1-2H3,(H,24,26)