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

Systemtic Name: 4-(cyclopropylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-26-12-5-7-14-16(9-12)27-18(20-14)21-17(23)10-2-6-13(19-11-3-4-11)15(8-10)22(24)25/h2,5-9,11,19H,3-4H2,1H3,(H,20,21,23)