N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O3S/c1-3-24-11-13-25(14-12-24)17-9-7-16(8-10-17)22-21(30)23-20(27)18-5-4-6-19(15(18)2)26(28)29/h4-10H,3,11-14H2,1-2H3,(H2,22,23,27,30)