N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H18N2O3S/c1-13-6-7-14-9-15-10-20(28-22(15)24-17(14)8-13)21(25)23-11-16-12-26-18-4-2-3-5-19(18)27-16/h2-10,16H,11-12H2,1H3,(H,23,25)