N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S/c19-12-2-1-3-15-16(12)20-18(28-15)21-17(24)11-4-5-13(14(10-11)23(25)26)22-6-8-27-9-7-22/h1-5,10H,6-9H2,(H,20,21,24)