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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C23H17ClN4O5S MolecularWeight: 496.92288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H17ClN4O5S/c1-12-15(22-25-17-11-14(24)7-9-19(17)33-22)4-3-5-16(12)26-23(34)27-21(29)13-6-8-20(32-2)18(10-13)28(30)31/h3-11H,1-2H3,(H2,26,27,29,34)