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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: 4-methoxy-3-nitro-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O5S/c1-4-15(2)17-7-11-22-20(13-17)28-25(35-22)16-5-9-19(10-6-16)27-26(36)29-24(31)18-8-12-23(34-3)21(14-18)30(32)33/h5-15H,4H2,1-3H3,(H2,27,29,31,36)