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

Systemtic Name: N-[5-[2-[(3-methoxyphenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[2-[[(3-methoxyphenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[2-(m-anisoylamino)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S/c1-29-15-7-3-5-13(11-15)17(25)20-9-8-16-22-23-19(30-16)21-18(26)12-4-2-6-14(10-12)24(27)28/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,23,26)