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

Systemtic Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-anilino-N-[4-(4-morpholinylmethyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-anilino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-anilino-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c27-20(24-21-23-17(14-31-21)13-25-8-10-30-11-9-25)15-6-7-18(19(12-15)26(28)29)22-16-4-2-1-3-5-16/h1-7,12,14,22H,8-11,13H2,(H,23,24,27)