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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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