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

Systemtic Name: N-[[5-[3-(4-acetamidophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[5-[3-(4-acetamidophenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[5-[3-(4-acetamidophenyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[5-[3-(4-acetamidophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[5-[3-(4-acetamidophenyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C23H19N5O5S2 MolecularWeight: 509.55746

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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=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H19N5O5S2/c1-13-20(19(30)12-5-15-3-8-17(9-4-15)25-14(2)29)35-23(24-13)27-22(34)26-21(31)16-6-10-18(11-7-16)28(32)33/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,31,34)