N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C24H28ClN5O5S MolecularWeight: 534.02762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H28ClN5O5S/c1-4-35-21-8-5-16(13-20(21)30(33)34)22(31)27-24(36)26-17-6-7-19(18(25)14-17)28-9-11-29(12-10-28)23(32)15(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H2,26,27,31,36)