4-chloranyl-N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H14Cl2N4O4S MolecularWeight: 537.37406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Cl)C(=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=C2Cl)C(=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H14Cl2N4O4S/c26-18-6-2-3-15-16(18)4-1-5-17(15)24-29-20-12-14(8-10-22(20)35-24)28-25(36)30-23(32)13-7-9-19(27)21(11-13)31(33)34/h1-12H,(H2,28,30,32,36)