N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]butanamide

Systemtic Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]butanamide Openeye Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]butanamide CAS Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[(4-nitroanilino)-oxomethyl]amino]butanamide IUPAC Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]butanamide Traditional Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]butyramide Formula: C21H22N6O5S MolecularWeight: 470.50158

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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)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5S/c1-12(2)17(23-20(29)22-14-6-8-15(9-7-14)27(30)31)18(28)24-21-26-25-19(33-21)13-4-10-16(32-3)11-5-13/h4-12,17H,1-3H3,(H2,22,23,29)(H,24,26,28)