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

Systemtic Name: 5-bromanyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]-1-naphthamide Formula: C21H13BrN4O3S2 MolecularWeight: 513.38692

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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=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C21H13BrN4O3S2/c22-17-9-3-6-14-15(17)7-2-8-16(14)19(27)24-20(30)25-21-23-18(11-31-21)12-4-1-5-13(10-12)26(28)29/h1-11H,(H2,23,24,25,27,30)