4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide Openeye Name: N-[2-tert-butoxy-1-[(3-nitrophenyl)carbamothioylamino]ethyl]-4-methyl-benzamide CAS Name: 4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-1-[[(3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide Traditional Name: N-[2-tert-butoxy-1-[(3-nitrophenyl)thiocarbamoylamino]ethyl]-4-methyl-benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(COC(C)(C)C)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(COC(C)(C)C)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c1-14-8-10-15(11-9-14)19(26)23-18(13-29-21(2,3)4)24-20(30)22-16-6-5-7-17(12-16)25(27)28/h5-12,18H,13H2,1-4H3,(H,23,26)(H2,22,24,30)