2-chloranyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-prop-2-enyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-chloro-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide IUPAC Name: 2-chloro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-chloro-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-4-nitro-benzamide Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CC=C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CC=C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c1-3-6-20(9-14(22)19-16-18-8-10(2)26-16)15(23)12-5-4-11(21(24)25)7-13(12)17/h3-5,7-8H,1,6,9H2,2H3,(H,18,19,22)