N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-12(2)17(22-18(27)14-5-4-6-15(11-14)26(29)30)19(28)23-21-25-24-20(32-21)13-7-9-16(31-3)10-8-13/h4-12,17H,1-3H3,(H,22,27)(H,23,25,28)