N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-9(23)19-11-4-6-13-15(8-11)27-17(20-13)21-16(24)10-3-5-12(18-2)14(7-10)22(25)26/h3-8,18H,1-2H3,(H,19,23)(H,20,21,24)