N-[4-(1-benzofuran-2-ylcarbamothioylamino)phenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-(1-benzofuran-2-ylcarbamothioylamino)phenyl]isoquinoline-1-carboxamide Openeye Name: N-[4-(benzofuran-2-ylcarbamothioylamino)phenyl]isoquinoline-1-carboxamide CAS Name: N-[4-[[(2-benzofuranylamino)-sulfanylidenemethyl]amino]phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-(1-benzofuran-2-ylcarbamothioylamino)phenyl]isoquinoline-1-carboxamide Traditional Name: N-[4-(benzofuran-2-ylthiocarbamoylamino)phenyl]isoquinoline-1-carboxamide Formula: C25H18N4O2S MolecularWeight: 438.50102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=CC=C(C=C3)NC(=S)NC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=CC=C(C=C3)NC(=S)NC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H18N4O2S/c30-24(23-20-7-3-1-5-16(20)13-14-26-23)27-18-9-11-19(12-10-18)28-25(32)29-22-15-17-6-2-4-8-21(17)31-22/h1-15H,(H,27,30)(H2,28,29,32)