N-[5-[2-[(3-methoxyphenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[2-[(3-methoxyphenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[2-[[(3-methoxyphenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-[2-(m-anisoylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C20H19N5O5S MolecularWeight: 441.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H19N5O5S/c1-12-15(7-4-8-16(12)25(28)29)19(27)22-20-24-23-17(31-20)9-10-21-18(26)13-5-3-6-14(11-13)30-2/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,22,24,27)