N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-2-naphthamide Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H25N3O2S/c1-18(2)22-13-14-26-25(16-22)31-28(34-26)21-9-7-19(8-10-21)17-30-29(35)32-27(33)24-12-11-20-5-3-4-6-23(20)15-24/h3-16,18H,17H2,1-2H3,(H2,30,32,33,35)