N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-thiophene-2-carboxamide Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S2/c1-13-3-4-14(21)18-17(13)22-20(31-18)24(8-2-7-23-9-11-29-12-10-23)19(26)15-5-6-16(30-15)25(27)28/h3-6H,2,7-12H2,1H3