N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-1-naphthamide Formula: C25H16ClN3O2S MolecularWeight: 457.93144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H16ClN3O2S/c26-20-13-12-16(14-19(20)24-28-21-10-3-4-11-22(21)31-24)27-25(32)29-23(30)18-9-5-7-15-6-1-2-8-17(15)18/h1-14H,(H2,27,29,30,32)