N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C21H24ClN5O4S MolecularWeight: 477.96436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O4S/c1-3-25-8-10-26(11-9-25)17-6-5-15(13-16(17)22)23-21(32)24-20(28)14-4-7-19(31-2)18(12-14)27(29)30/h4-7,12-13H,3,8-11H2,1-2H3,(H2,23,24,28,32)