4-chloranyl-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(diethylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-(diethylamino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O3S/c1-3-22(4-2)14-8-6-13(7-9-14)20-18(27)21-17(24)12-5-10-15(19)16(11-12)23(25)26/h5-11H,3-4H2,1-2H3,(H2,20,21,24,27)