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

Systemtic Name: 4-(cyclopropylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-10-2-6-14-16(8-10)26-18(20-14)21-17(23)11-3-7-13(19-12-4-5-12)15(9-11)22(24)25/h2-3,6-9,12,19H,4-5H2,1H3,(H,20,21,23)