2-chloranyl-N-[4-(methylcarbamothioylamino)phenyl]-5-nitro-N-phenyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(methylcarbamothioylamino)phenyl]-5-nitro-N-phenyl-benzamide Openeye Name: 2-chloro-N-[4-(methylcarbamothioylamino)phenyl]-5-nitro-N-phenyl-benzamide CAS Name: 2-chloro-N-[4-[[methylamino(sulfanylidene)methyl]amino]phenyl]-5-nitro-N-phenylbenzamide IUPAC Name: 2-chloro-N-[4-(methylcarbamothioylamino)phenyl]-5-nitro-N-phenylbenzamide Traditional Name: 2-chloro-N-[4-(methylthiocarbamoylamino)phenyl]-5-nitro-N-phenyl-benzamide Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O3S/c1-23-21(30)24-14-7-9-16(10-8-14)25(15-5-3-2-4-6-15)20(27)18-13-17(26(28)29)11-12-19(18)22/h2-13H,1H3,(H2,23,24,30)