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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C28H28ClN5O5S MolecularWeight: 582.07042

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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)C4=CC=CC=C4C)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)C4=CC=CC=C4C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H28ClN5O5S/c1-3-39-25-11-8-19(16-24(25)34(37)38)26(35)31-28(40)30-20-9-10-23(22(29)17-20)32-12-14-33(15-13-32)27(36)21-7-5-4-6-18(21)2/h4-11,16-17H,3,12-15H2,1-2H3,(H2,30,31,35,40)