4-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C19H13BrClN3O4S MolecularWeight: 494.74622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C19H13BrClN3O4S/c1-28-17-13(8-10-4-2-3-5-12(10)16(17)20)18(25)23-19(29)22-11-6-7-14(21)15(9-11)24(26)27/h2-9H,1H3,(H2,22,23,25,29)