4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(dimethylamino)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H22N4O4S/c1-4-28-12-11-23-17-10-9-16(24(26)27)13-18(17)29-20(23)21-19(25)14-5-7-15(8-6-14)22(2)3/h5-10,13H,4,11-12H2,1-3H3