N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-[4-(diethylamino)phenyl]-4-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-[4-(diethylamino)phenyl]-4-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[4-(diethylamino)phenyl]-4-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[4-(diethylamino)phenyl]-4-nitro-benzamide Formula: C24H21ClN4O3S MolecularWeight: 480.96654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H21ClN4O3S/c1-3-27(4-2)16-9-11-17(12-10-16)28(24-26-21-7-5-6-8-22(21)33-24)23(30)19-14-13-18(29(31)32)15-20(19)25/h5-15H,3-4H2,1-2H3