N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H23N3O2S/c1-17(2)19-13-14-25-24(16-19)30-27(33-25)20-9-5-10-21(15-20)29-28(34)31-26(32)23-12-6-8-18-7-3-4-11-22(18)23/h3-17H,1-2H3,(H2,29,31,32,34)