N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-(3-methoxypropyl)-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-(3-methoxypropyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CCCOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CCCOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-12-11-27-17(18-12)19-15(22)10-20(7-4-8-26-2)16(23)13-5-3-6-14(9-13)21(24)25/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,18,19,22)