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

Systemtic Name: N-(2-dimethylaminoethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4S/c1-12-11-27-17(18-12)19-15(23)10-21(8-7-20(2)3)16(24)13-5-4-6-14(9-13)22(25)26/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,19,23)