5-bromanyl-2-chloranyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C17H10BrClN4O3S2 MolecularWeight: 497.7733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C17H10BrClN4O3S2/c18-10-4-5-13(19)12(7-10)15(24)21-16(27)22-17-20-14(8-28-17)9-2-1-3-11(6-9)23(25)26/h1-8H,(H2,20,21,22,24,27)