2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(6-quinolylamino)prop-2-enenitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(6-quinolinylamino)-2-propenenitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(6-quinolylamino)acrylonitrile Formula: C22H14N4O2S MolecularWeight: 398.43716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC5=C(C=C4)N=CC=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC5=C(C=C4)N=CC=C5)C#N

InChI

InChI=1S/C22H14N4O2S/c23-10-16(11-25-17-4-5-18-14(8-17)2-1-7-24-18)22-26-19(12-29-22)15-3-6-20-21(9-15)28-13-27-20/h1-9,11-12,25H,13H2