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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C26H23N5O4S2 MolecularWeight: 533.62192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H23N5O4S2/c1-16-18(25-27-20-6-2-3-8-23(20)37-25)5-4-7-19(16)28-26(36)29-24(32)17-9-10-21(22(15-17)31(33)34)30-11-13-35-14-12-30/h2-10,15H,11-14H2,1H3,(H2,28,29,32,36)