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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5S/c31-23(17-7-10-20(21(15-17)30(32)33)29-11-13-34-14-12-29)28-25(36)26-18-8-5-16(6-9-18)24-27-19-3-1-2-4-22(19)35-24/h1-10,15H,11-14H2,(H2,26,28,31,36)