4-bromanyl-N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[(2-hydroxy-3,5-dimethylanilino)-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)O)C

InChI

InChI=1S/C21H19BrN2O3S/c1-11-8-12(2)18(25)16(9-11)23-21(28)24-20(26)15-10-13-6-4-5-7-14(13)17(22)19(15)27-3/h4-10,25H,1-3H3,(H2,23,24,26,28)