N-[[5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[5-[(E)-3-(2-hydroxyphenyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[5-[(E)-3-(2-hydroxyphenyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=CC=C3O

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C3=CC=CC=C3O

InChI

InChI=1S/C21H16N4O5S2/c1-12-18(17(27)11-8-13-4-2-3-5-16(13)26)32-21(22-12)24-20(31)23-19(28)14-6-9-15(10-7-14)25(29)30/h2-11,26H,1H3,(H2,22,23,24,28,31)/b11-8+