3-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]-2-naphthamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H21N3O2S/c1-30-23-16-20-5-3-2-4-19(20)15-22(23)24(29)28-25(31)27-21-8-6-17(7-9-21)14-18-10-12-26-13-11-18/h2-13,15-16H,14H2,1H3,(H2,27,28,29,31)