N-(4-tert-butyl-1,3-thiazol-2-yl)-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-(4-tert-butylthiazol-2-yl)-3-nitro-benzamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-(4-tert-butylthiazol-2-yl)-3-nitro-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-21(2,3)18-13-29-20(23-18)24-19(26)15-9-10-16(17(11-15)25(27)28)22-12-14-7-5-4-6-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,24,26)