N-(1,3-benzothiazol-2-yl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N4O2S/c1-30-16-12-10-15(11-13-16)26-22-18-7-3-2-6-17(18)19(14-25-22)23(29)28-24-27-20-8-4-5-9-21(20)31-24/h2-14H,1H3,(H,25,26)(H,27,28,29)