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

Systemtic Name: 4-morpholin-4-yl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-morpholino-N-[[4-(2-naphthyl)thiazol-2-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[[[4-(2-naphthalenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-morpholino-N-[[4-(2-naphthyl)thiazol-2-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H21N5O4S2 MolecularWeight: 519.59534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O4S2/c31-23(19-7-8-21(22(14-19)30(32)33)29-9-11-34-12-10-29)27-24(35)28-25-26-20(15-36-25)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13-15H,9-12H2,(H2,26,27,28,31,35)