4-(cyclopropylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N4O5S/c1-27-15-8-13-17(9-16(15)28-2)29-19(21-13)22-18(24)10-3-6-12(20-11-4-5-11)14(7-10)23(25)26/h3,6-9,11,20H,4-5H2,1-2H3,(H,21,22,24)